SCHEMBL9503491

SCHEMBL9503491

C=CCOCc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.40
FFAR4 Q5NUL3 1/20 0.40
BCHE P06276 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
LMNA P02545 1/20 0.35
ADRA2A P08913 1/20 0.35
CNR1 P21554 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 2/20 0.35
TTR P02766 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
SCHEMBL10823669 0.87 FFAR1 (0.45) FFAR1FFAR4BCHEALDH1A1KDM4E
SCHEMBL27090341 0.82 TSHR (0.36) BCHE
SCHEMBL9504919 0.81 BCHE (0.43) FFAR1BCHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL27090344 0.78 TSHR (0.34) ALDH1A1SMN1; SMN2
SCHEMBL13857071 0.77 ALDH1A1 (0.46) FFAR1FFAR4ALDH1A1KDM4EHTT
SCHEMBL8549352 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL11700680 0.77 TSHR (0.41) BCHE
SCHEMBL21979387 0.76 IDO1 (0.57) MAOB
SCHEMBL9502091 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHTTSMN1; SMN2TDP1
SCHEMBL10733054 0.74 FFAR1 (0.42) FFAR1FFAR4ALDH1A1KDM4EHTT

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 5 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
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