SCHEMBL9625787

SCHEMBL9625787

CCCCCCCCCCCCCC[C@H](O)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.45
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 2/20 0.40
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
NR1I2 O75469 1/20 0.39
CA12 O43570 1/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
ADAM17 P78536 2/20 0.38
MMP1 P03956 2/20 0.38
LMNA P02545 2/20 0.38
ALB P02768 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR84 Q9NQS5 5/20 0.38

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
SCHEMBL9625785 1.00 PLA2G2C (0.45) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL13219933 1.00 PLA2G2C (0.45) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL9625505 1.00 PLA2G2C (0.45) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL5071377 1.00 PLA2G2C (0.45) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL9344197 0.99 PLA2G2C (0.43) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL9344192 0.99 PLA2G2C (0.43) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL9344204 0.99 PLA2G2C (0.43) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL9691202 0.94 CA2 (0.44) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL9691197 0.94 CA2 (0.44) PLA2G2CMCHR1ALDH1A1CA2CA9
SCHEMBL1061474 0.94 CA2 (0.44) PLA2G2CMCHR1ALDH1A1CA2CA9

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
EP-0197484-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE GLYCOL DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-05 EP disclosed