SCHEMBL9503476

SCHEMBL9503476

C#CCOc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
CA4 P22748 5/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 2/20 0.46
GSTP1 P09211 1/20 0.46
CA7 P43166 1/20 0.46
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
ACHE P22303 1/20 0.42
CYP19A1 P11511 1/20 0.41
PTGS2 P35354 2/20 0.38
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ST14 Q9Y5Y6 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
SCHEMBL3452132 0.94 CA12 (0.50) CA12CA9CA4CA2CA1
SCHEMBL15800551 0.86 CA12 (0.57) CA12CA9CA4CA2CA1
SCHEMBL12517384 0.81 CA12 (0.46) CA12CA9CA4CA2CA1
SCHEMBL11571539 0.81 CA12 (0.46) CA12CA9CA4CA2CA1
SCHEMBL9502707 0.81 HAO1 (0.36) CA12CA9CA4CA2CA1
SCHEMBL9504976 0.81 ST14 (0.36) CA2CA1ST14
SCHEMBL5704167 0.79 CA12 (0.63) CA12CA9CA4CA2CA1
SCHEMBL1338731 0.79 ST14 (0.48) CA2CA1MAOAMAOBST14
SCHEMBL8551187 0.79 ST14 (0.48) CA2CA1MAOAMAOBST14
SCHEMBL9729724 0.79 LTA4H (0.55) CA12CA9CA4CA2CA1

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