SCHEMBL9723827

SCHEMBL9723827

CCCCCOC(C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.42
MCHR1 Q99705 1/20 0.40
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 2/20 0.38
STAT3 P40763 1/20 0.38
CA1 P00915 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9723718 0.99 PLA2G2C (0.44) PLA2G2CMCHR1CA12CA9CA2
SCHEMBL9512608 0.99 PLA2G2C (0.44) PLA2G2CMCHR1CA12CA9CA2
SCHEMBL9488453 0.99 PLA2G2C (0.44) PLA2G2CMCHR1CA12CA9CA2
SCHEMBL9512685 0.96 CA12 (0.40) PLA2G2CMCHR1CA12CA9CA2
SCHEMBL9723867 0.96 CA12 (0.40) PLA2G2CMCHR1CA12CA9CA2
SCHEMBL9261226 0.90 CA12 (0.41) PLA2G2CCA12CA9CA2STAT3
SCHEMBL9488585 0.88 PLA2G2C (0.41) PLA2G2CMCHR1CA12CA9CA2
SCHEMBL9489252 0.86 PLA2G2C (0.41) PLA2G2CMCHR1CA12CA9CA2
SCHEMBL25909329 0.86 PLA2G2C (0.42) PLA2G2CMCHR1CA12CA9CA2
SCHEMBL23160909 0.85 CA9 (0.45) CA12CA9CA2STAT3CA1

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-5114613-A High-speed responsive, stable films; controlling the mesomorphic state and temperature CANON KABUSHIKI KAISHA (JP) 1992-05-19 US disclosed
US-4882085-A Lactic acid derivative and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-11-21 US disclosed