SCHEMBL23929241

SCHEMBL23929241

CCCCCCCCCCCCCCCCCC(=O)OP(=O)([O-])OC(=O)CC[C@H](N)C(=O)OP(=O)([O-])OC(=O)CCCCCCCCCCCCCCCCC.[Na+].[Na+]

nearest known ligand 0.43

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 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.43
LPAR4 Q99677 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
P2RY10 O00398 7/20 0.42
GPR34 Q9UPC5 4/20 0.42
GPR174 Q9BXC1 3/20 0.42
DGKA P23743 1/20 0.41
ENPP2 Q13822 5/20 0.40
LPAR6 P43657 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7757135 0.84 DGKA (0.52) LPAR1LPAR4LPAR2LPAR3DGKA
SCHEMBL3917799 0.76 DGKA (0.53) LPAR1LPAR4LPAR2LPAR3DGKA
SCHEMBL28261297 0.76 DGKA (0.53) LPAR1LPAR4LPAR2LPAR3DGKA
SCHEMBL4817492 0.76 FABP3 (0.56) LPAR1LPAR4LPAR2LPAR3MAPT
SCHEMBL2482147 0.75 DGKA (0.50) P2RY10GPR34GPR174DGKAMAPT
SCHEMBL15648440 0.75 DGKA (0.50) P2RY10GPR34GPR174DGKAMAPT
SCHEMBL6927476 0.75 DGKA (0.50) P2RY10GPR34GPR174DGKAMAPT
SCHEMBL192213 0.75 DGKA (0.50) P2RY10GPR34GPR174DGKAMAPT
SCHEMBL318615 0.75 DGKA (0.50) P2RY10GPR34GPR174DGKAMAPT
SCHEMBL346381 0.75 DGKA (0.50) P2RY10GPR34GPR174DGKAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4138772-A1 ENVIRONMENTALLY FRIENDLY COSMETIC SUNSCREEN Beiersdorf AG (DE) 2023-03-01 EP disclosed
WO-2021213753-A1 ENVIRONMENTALLY FRIENDLY COSMETIC SUNSCREEN BEIERSDORF AG (DE) 2021-10-28 WO disclosed