SCHEMBL10807828

SCHEMBL10807828

CCCCCCCCCCCCCCCCCCOCC(CO)CC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
CES2 O00748 2/20 0.53
PLA2G2C Q5R387 7/20 0.49
HTT P42858 2/20 0.45
LPAR5 Q9H1C0 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LPAR1 Q92633 2/20 0.42
LPAR3 Q9UBY5 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL21046040 0.84 USP2 (0.68) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL21046008 0.84 USP2 (0.68) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL21046018 0.84 USP2 (0.68) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL21046030 0.84 USP2 (0.68) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL21046022 0.84 USP2 (0.68) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL20898306 0.84 USP2 (0.68) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL16367888 0.84 USP2 (0.68) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL21046013 0.84 USP2 (0.68) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL10686283 0.82 USP2 (0.53) USP2CES2PLA2G2CHTTLPAR5
SCHEMBL20898182 0.82 USP2 (0.64) USP2PLA2G2CHTTLPAR5MEN1

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
US-4640913-A Phosphocholine derivatives having antihypertensive action AMERICAN CYANAMID COMPANY (US) 1987-02-03 US disclosed