SCHEMBL9344192

SCHEMBL9344192

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.43
MCHR1 Q99705 1/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 3/20 0.40
CA4 P22748 3/20 0.40
CA7 P43166 3/20 0.40
CA12 O43570 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALB P02768 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
STAT3 P40763 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1I2 O75469 1/20 0.37

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
SCHEMBL9344204 1.00 PLA2G2C (0.43) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL9344197 1.00 PLA2G2C (0.43) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL5071377 0.99 PLA2G2C (0.45) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL13219933 0.99 PLA2G2C (0.45) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL9625785 0.99 PLA2G2C (0.45) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL9625787 0.99 PLA2G2C (0.45) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL9625505 0.99 PLA2G2C (0.45) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL9691202 0.96 CA2 (0.44) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL9691197 0.96 CA2 (0.44) PLA2G2CMCHR1CA2CA9CA1
SCHEMBL1061474 0.96 CA2 (0.44) PLA2G2CMCHR1CA2CA9CA1

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
US-5275756-A Pyrimidine ether compounds for electrooptical elements TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-01-04 US disclosed
EP-0469893-A1 Fluorinated pyrimidine-phenyl optically active compounds and liquid crystal compositions thereof Takasago International Corporation (JP) 1992-02-05 EP disclosed