SCHEMBL29020840

SCHEMBL29020840

CCCCCCCCCCCCCCCCCCOCC(CO)NC(=O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.46
TLR2 O60603 5/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
GAA P10253 2/20 0.43
GPR139 Q6DWJ6 1/20 0.43
PLA2G2C Q5R387 2/20 0.42
MAPT P10636 1/20 0.41
S1PR3 Q99500 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL30464550 1.00 SMPD1 (0.46) SMPD1TLR2TAS1R3TAS1R1GAA
SCHEMBL24340398 1.00 SMPD1 (0.46) SMPD1TLR2TAS1R3TAS1R1GAA
SCHEMBL29020969 0.88 LPAR5 (0.45) SMPD1TLR2TAS1R3TAS1R1PIN1
SCHEMBL29020971 0.88 LPAR5 (0.45) SMPD1TLR2TAS1R3TAS1R1PIN1
SCHEMBL24340434 0.84 PRSS1 (0.49) PLA2G2C
SCHEMBL24340432 0.84 PRSS1 (0.49) PLA2G2C
SCHEMBL20997620 0.83 TAS1R3 (0.53) SMPD1TAS1R3TAS1R1GAAGPR139
SCHEMBL24340358 0.81 USP2 (0.39) TLR2PLA2G2CMAPT
SCHEMBL29020863 0.81 USP2 (0.39) TLR2PLA2G2CMAPT
SCHEMBL30464602 0.81 USP2 (0.39) TLR2PLA2G2CMAPT

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-116322759-A Phospholipid compounds and uses thereof 吉利德科学公司 2023-06-23 CN disclosed