SCHEMBL30244795

SCHEMBL30244795

N[C@@H](COP(=O)(O)OC[C@H](O)CO)C(=O)[O-].[Na+]

nearest known ligand 0.41

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 5)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 18/20 0.41
GPR174 Q9BXC1 12/20 0.41
GPR34 Q9UPC5 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
SELP P16109 1/20 0.34

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
SCHEMBL29556656 1.00 P2RY10 (0.41) P2RY10GPR174GPR34SMN1; SMN2SELP
SCHEMBL30244695 0.83 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL21067706 0.83 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL22219423 0.83 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL2017576 0.83 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL29715574 0.83 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL13863415 0.83 P2RY10 (0.56) P2RY10GPR174GPR34
SCHEMBL30148756 0.80 SMN1; SMN2 (0.46) P2RY10GPR174GPR34SMN1; SMN2SELP
SCHEMBL12284729 0.80 SMN1; SMN2 (0.46) P2RY10GPR174GPR34SMN1; SMN2SELP
SCHEMBL29708086 0.80 SMN1; SMN2 (0.46) P2RY10GPR174GPR34SMN1; SMN2SELP

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
WO-2023023492-A1 METHODS, COMPOSITIONS, AND DEVICES FOR MAKING SOLID LIPID NANOPARTICLES AND NANOSTRUCTURED LIPID CARRIERS UNCHAINED LABS (US) 2023-02-23 WO disclosed