SCHEMBL6373365

SCHEMBL6373365

CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)[O-])CC2.[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 known ✓ Q9Y271 1/20 0.54
LTB4R Q15722 19/20 1.00
LTB4R2 Q9NPC1 9/20 0.67
CYSLTR2 Q9NS75 1/20 0.54

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
SCHEMBL6378090 0.92 LTB4R (1.00) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL6373356 0.91 LTB4R (0.98) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8583520 0.89 LTB4R (0.83) LTB4RLTB4R2CYSLTR2CYSLTR1
Sc-41390 SCHEMBL6372088 0.84 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL6370354 0.80 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8650764 0.80 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8950060 0.79 LTB4R (0.78) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL7625803 0.79 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL10838232 0.79 LTB4R (0.88) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9372183 0.78 LTB4R (1.00) LTB4RLTB4R2CYSLTR2CYSLTR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933272-B1 Use of non-peptidyl compounds for the treatment of insulin related ailments HELMERHORST ERIK (AU) 2005-08-23 US disclosed
EP-1115422-A4 USE OF NON-PEPTIDYL COMPOUNDS FOR THE TREATMENT OF INSULIN RELATED AILMENTS UNIV CURTIN TECH (AU) 2003-01-29 EP disclosed
EP-1115422-A1 USE OF NON-PEPTIDYL COMPOUNDS FOR THE TREATMENT OF INSULIN RELATED AILMENTS CURTIN UNIVERSITY OF TECHNOLOGY (AU) 2001-07-18 EP disclosed
WO-2000016798-A1 USE OF NON-PEPTIDYL COMPOUNDS FOR THE TREATMENT OF INSULIN RELATED AILMENTS CURTIN UNIVERSITY OF TECHNOLOGY (AU) 2000-03-30 WO disclosed
US-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed