SCHEMBL9513832

SCHEMBL9513832

CCCCCCCCCCCCOCC(O)COP(=O)([O-])OCC(O)CO.[Na+]

nearest known ligand 0.67

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
USP2 O75604 1/20 0.67
LPAR5 Q9H1C0 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.52
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCH P24723 1/20 0.51
AKT1 P31749 1/20 0.51
PRKCI P41743 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCZ Q05513 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKD1 Q15139 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 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
Glycerin SCHEMBL28236478 0.90 LPAR5 (0.67) USP2LPAR5SMN1; SMN2PRKD3PRKCG
SCHEMBL9513820 0.90 SMN1; SMN2 (0.60) USP2LPAR5SMN1; SMN2PRKD3PRKCG
Glycerin SCHEMBL28048895 0.89 LPAR5 (0.64) USP2LPAR5SMN1; SMN2PRKD3PRKCG
SCHEMBL258036 0.87 LPAR5 (0.74) USP2LPAR5SMN1; SMN2PRKD3PRKCG
SCHEMBL258056 0.87 LPAR5 (0.74) USP2LPAR5SMN1; SMN2PRKD3PRKCG
SCHEMBL258048 0.87 LPAR5 (0.74) USP2LPAR5SMN1; SMN2PRKD3PRKCG
SCHEMBL258058 0.87 LPAR5 (0.74) USP2LPAR5SMN1; SMN2PRKD3PRKCG
SCHEMBL258063 0.87 LPAR5 (0.74) USP2LPAR5SMN1; SMN2PRKD3PRKCG
SCHEMBL31347426 0.86 LPAR5 (0.73) USP2LPAR5AKT1HTTP2RY10
SCHEMBL31347420 0.86 LPAR5 (0.73) USP2LPAR5AKT1HTTP2RY10

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-0279457-B1 Detergent composition KAO CORP (JP) 1993-11-24 EP disclosed
US-4812254-A NONIRRITATING TO SKIN AND HAIR, SOAPS, SHAMPOO, PHOSPHATES KAO CORPORATION (JP) 1989-03-14 US disclosed