SCHEMBL9502730

SCHEMBL9502730

CC(C)c1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
NPBWR1 P48145 2/20 0.47
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
MCHR1 Q99705 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TTR P02766 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL51783 0.87 IDO1 (0.52) IDO1RXRARXRBNPC1RAB9A
SCHEMBL11031906 0.85 IDO1 (0.50) IDO1RXRARXRBNPC1RAB9A
SCHEMBL31496031 0.85 IDO1 (0.50) IDO1RXRARXRBNPC1RAB9A
SCHEMBL30702238 0.85 IDO1 (0.50) IDO1RXRARXRBNPC1RAB9A
SCHEMBL9502746 0.83 ALDH1A1 (0.46) NPBWR1MCHR1NPC1RAB9AALDH1A1
SCHEMBL9502718 0.83 PTGS1 (0.46) ALDH1A1SMN1; SMN2KDM4ETTRHTT
SCHEMBL4366979 0.82 ALDH1A1 (0.48) IDO1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL15849015 0.82 ALDH1A1 (0.48) IDO1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL1338731 0.82 ST14 (0.48) ALDH1A1TTRMAOAMAOB
SCHEMBL8551187 0.82 ST14 (0.48) ALDH1A1TTRMAOAMAOB

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