SCHEMBL9502718

SCHEMBL9502718

CC(C)c1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
CASR P41180 1/20 0.42
TTR P02766 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
GLI1 P08151 1/20 0.41
GLI2 P10070 1/20 0.41
ALOX5 P09917 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL123764 0.86 PTGS1 (0.58) PTGS1MEN1KMT2ACYP2D6KDM4E
SCHEMBL506935 0.85 ST14 (0.56) PTGS1MEN1KMT2ACYP2D6KDM4E
SCHEMBL10030557 0.85 KDM4E (0.48) PTGS1MEN1KMT2ACYP2D6KDM4E
SCHEMBL15397423 0.84 LTA4H (0.58) PTGS1MEN1KMT2ACYP2D6KDM4E
SCHEMBL8636829 0.83 PTGS1 (0.54) PTGS1MEN1KMT2ACYP2D6KDM4E
SCHEMBL9502730 0.83 IDO1 (0.47) KDM4ETTRALDH1A1SMN1; SMN2HTT
SCHEMBL25908595 0.83 PTGS1 (0.45) PTGS1MEN1KMT2ACYP2D6KDM4E
SCHEMBL8549352 0.82 ALDH1A1 (0.54) MEN1KMT2AKDM4ETTRALDH1A1
SCHEMBL11063307 0.82 PTGS1 (0.56) PTGS1MEN1KMT2ACYP2D6KDM4E
SCHEMBL30345552 0.82 PTGS1 (0.56) PTGS1MEN1KMT2ACYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed