SCHEMBL31497281

SCHEMBL31497281

CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C.[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 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.80
SMN1; SMN2 Q16637 2/20 0.62
NR5A2 O00482 1/20 0.62
NR5A1 Q13285 1/20 0.62
RECQL P46063 1/20 0.58
LPAR3 Q9UBY5 5/20 0.57
LPAR1 Q92633 4/20 0.57
LPAR6 P43657 1/20 0.57
LPAR4 Q99677 1/20 0.57
LPAR5 Q9H1C0 1/20 0.57
LPAR2 Q9HBW0 1/20 0.57
S1PR1 P21453 1/20 0.55
MAPT P10636 2/20 0.54
PRKCA P17252 1/20 0.54
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCD Q05655 1/20 0.54
MAPK1 P28482 1/20 0.53
ENPP2 Q13822 1/20 0.52
SELP P16109 1/20 0.51

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
SCHEMBL28505996 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL30605184 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL31106468 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL9611246 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL21680883 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL30842177 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL31362195 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL31425003 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL31400386 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL28505997 0.99 FABP3 (0.81) FABP3SMN1; SMN2NR5A2NR5A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119488484-A Liposome preparation and preparation method thereof 纳科药业科技(深圳)有限公司 2025-02-21 CN disclosed