SCHEMBL7455157

SCHEMBL7455157

CCCCCCCC/C=C\CCCCCCCC(=O)C(OP(=O)(O)OC[C@H](N)C(=O)[O-])(C(=O)CCCCCCC/C=C\CCCCCCCC)[C@@H](O)CO.[Na+]

nearest known ligand 0.49

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 3)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 11/20 0.49
GPR174 Q9BXC1 5/20 0.49
GPR34 Q9UPC5 5/20 0.49

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
SCHEMBL3051352 0.90 P2RY10 (0.61) P2RY10GPR174GPR34
SCHEMBL479757 0.88 P2RY10 (0.58) P2RY10GPR174GPR34
SCHEMBL16294197 0.84 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL16293534 0.84 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL9952582 0.84 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL162609 0.84 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL7571747 0.83 P2RY10 (0.44) P2RY10GPR174GPR34
SCHEMBL969822 0.83 P2RY10 (0.44) P2RY10GPR174GPR34
SCHEMBL18262003 0.83 P2RY10 (0.44) P2RY10GPR174GPR34
SCHEMBL7570925 0.81 S1PR1 (0.47) P2RY10GPR34

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925059-A4 PROTEIN-LIPID VESICLES AND AUTOGENOUS VACCINE COMPRISING THE SAME ALBANY MEDICAL COLLEGE (US) 2002-03-27 EP disclosed
US-6165502-A Protein-lipid vesicles and autogenous vaccine comprising the same ALBANY MEDICAL COLLEGE (US) 2000-12-26 US disclosed
EP-0925059-A1 PROTEIN-LIPID VESICLES AND AUTOGENOUS VACCINE COMPRISING THE SAME ALBANY MEDICAL COLLEGE (US) 1999-06-30 EP disclosed
WO-1998010749-A1 PROTEIN-LIPID VESICLES AND AUTOGENOUS VACCINE COMPRISING THE SAME ALBANY MEDICAL COLLEGE (US) 1998-03-19 WO disclosed