SCHEMBL7458940

SCHEMBL7458940

CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)[O-])ccc3oc2c1CCC(=O)[O-].[Na+].[Na+]

nearest known ligand 0.80

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.80
LTB4R2 Q9NPC1 13/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8583686 0.89 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7458944 0.88 LTB4R (0.98) LTB4RLTB4R2
SCHEMBL8408704 0.88 LTB4R (0.98) LTB4RLTB4R2
SCHEMBL13696764 0.82 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL10004526 0.81 LTB4R (0.98) LTB4RLTB4R2
SCHEMBL27570391 0.75 LTB4R (0.74) LTB4RLTB4R2
SCHEMBL8563572 0.73 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL7972701 0.71 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8949534 0.70 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL6895094 0.68 LTB4R (0.84) LTB4RLTB4R2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231939-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP claimed
EP-1231938-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP claimed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034197-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034135-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034137-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
EP-1231939-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
EP-1231938-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
EP-0964683-A4 LEUKOTRIENE ANTAGONISTS FOR ORAL SQUAMOUS CELL CARCINOMA LILLY CO ELI (US) 2002-08-14 EP disclosed
EP-0961617-A4 LEUKOTRIENE ANTAGONISTS FOR CEREBRAL FOCAL STROKE LILLY CO ELI (US) 2002-08-07 EP disclosed
WO-2001034197-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034135-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034137-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
EP-0735870-A1 USE OF PLA 2? INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
US-5563164-A TREATING ARTHRITIS, PSORIASIS, ASTHMA, INFLAMMATORY BOWEL DISEASE, OR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
US-5478857-A Administering inhibitor of phospholipase A2 ELI LILLY AND COMPANY (US) 1995-12-26 US disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
WO-1995017183-A1 USE OF PLA2 INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1995-06-29 WO disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed