SCHEMBL9504976

SCHEMBL9504976

C#CCc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.36
LTA4H P09960 1/20 0.35
TTR P02766 2/20 0.34
PYCR1 P32322 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
S1PR5 Q9H228 1/20 0.31
FFAR1 O14842 1/20 0.31
SRD5A2 P31213 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28344356 0.89 ST14 (0.43) ST14LTA4HPYCR1FFAR1SRD5A2
SCHEMBL1338731 0.82 ST14 (0.48) ST14LTA4HTTRCA1CA2
SCHEMBL8551187 0.82 ST14 (0.48) ST14LTA4HTTRCA1CA2
SCHEMBL6643438 0.82 LTA4H (0.55) LTA4HCA1CA2FFAR1SRD5A2
SCHEMBL9503476 0.81 CA12 (0.46) ST14CA1CA2
SCHEMBL9502707 0.80 HAO1 (0.36) ST14LTA4HTTRCA1CA2
SCHEMBL510124 0.74 LTA4H (0.61) LTA4HTTRCA1CA2FFAR1
SCHEMBL2987196 0.74 MAOB (0.54) ST14LTA4HTTRS1PR5
SCHEMBL3452132 0.73 CA12 (0.50) CA1CA2
SCHEMBL4137602 0.72 PYCR1 (0.56) LTA4HPYCR1CA1CA2ALDH1A1

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