SCHEMBL9512685

SCHEMBL9512685

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.39
TSHR P16473 3/20 0.39
CA7 P43166 1/20 0.39
STAT3 P40763 1/20 0.39
PLA2G2C Q5R387 1/20 0.38
MCHR1 Q99705 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
ENPP1 P22413 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36

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
SCHEMBL9723867 1.00 CA12 (0.40) CA12CA9CA1CA2TSHR
SCHEMBL9723827 0.96 PLA2G2C (0.42) CA12CA9CA1CA2TSHR
SCHEMBL9723718 0.94 PLA2G2C (0.44) CA12CA9CA1CA2TSHR
SCHEMBL9488453 0.94 PLA2G2C (0.44) CA12CA9CA1CA2TSHR
SCHEMBL9512608 0.94 PLA2G2C (0.44) CA12CA9CA1CA2TSHR
SCHEMBL9261226 0.91 CA12 (0.41) CA12CA9CA1CA2TSHR
SCHEMBL23160909 0.87 CA9 (0.45) CA12CA9CA1CA2TSHR
SCHEMBL7809011 0.87 CA9 (0.45) CA12CA9CA1CA2TSHR
SCHEMBL7204251 0.85 CA2 (0.40) CA12CA9CA1CA2TSHR
SCHEMBL9488585 0.83 PLA2G2C (0.41) CA12CA9CA1CA2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277815-B1 Optically active-2-alkoxy-propyl ether and liquid crystal composition CHISSO CORP (JP) 1993-11-24 EP disclosed
US-5021191-A Ferroelectricity display elements; extremely small redution in crystal temperature region CHISSO CORPORATION (JP) 1991-06-04 US disclosed
EP-0277815-A2 Optically active-2-alkoxy-propyl ether and liquid crystal composition Chisso Corporation (JP) 1988-08-10 EP disclosed