SCHEMBL9489252

SCHEMBL9489252

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.41
CA9 Q16790 5/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 2/20 0.40
MCHR1 Q99705 1/20 0.38
CA1 P00915 4/20 0.38
PSMD10 O75832 1/20 0.38
RECQL P46063 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
BLM P54132 1/20 0.36
STAT3 P40763 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP24A1 Q07973 2/20 0.35
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL9489603 0.99 PLA2G2C (0.42) PLA2G2CCA9CA2CA12MCHR1
SCHEMBL8944916 0.96 PLA2G2C (0.42) PLA2G2CCA9CA2CA12MCHR1
SCHEMBL9488585 0.93 PLA2G2C (0.41) PLA2G2CCA9CA2CA12MCHR1
SCHEMBL9723827 0.86 PLA2G2C (0.42) PLA2G2CCA9CA2CA12MCHR1
SCHEMBL18161753 0.86 CA12 (0.41) CA9CA2CA12CA1PSMD10
SCHEMBL283871 0.86 MCHR1 (0.47) PLA2G2CCA9CA2CA12MCHR1
SCHEMBL6130074 0.86 PLA2G2C (0.42) PLA2G2CCA9CA2CA12MCHR1
SCHEMBL9512608 0.85 PLA2G2C (0.44) PLA2G2CCA9CA2CA12MCHR1
SCHEMBL9488453 0.85 PLA2G2C (0.44) PLA2G2CCA9CA2CA12MCHR1
SCHEMBL9723718 0.85 PLA2G2C (0.44) PLA2G2CCA9CA2CA12MCHR1

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-0255962-B1 OPTICALLY ACTIVE MESOMORPHIC COMPOUND CANON KABUSHIKI KAISHA (JP) 1993-01-27 EP disclosed
US-5143643-A Liquid crystals CANON KABUSHIKI KAISHA (JP) 1992-09-01 US disclosed
EP-0255962-A2 Optically active mesomorphic compound CANON KABUSHIKI KAISHA (JP) 1988-02-17 EP disclosed