SCHEMBL9502686

SCHEMBL9502686

Cc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ACHE P22303 3/20 0.47
FFAR1 O14842 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
AR P10275 2/20 0.45
TTR P02766 1/20 0.45
GAA P10253 2/20 0.45
GFER P55789 2/20 0.43
MAPK1 P28482 1/20 0.43
BCHE P06276 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LYN P07948 1/20 0.42
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL32670377 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL8549352 0.87 ALDH1A1 (0.54) ALDH1A1HTTTDP1TTRGAA
SCHEMBL14159532 0.85 ALDH1A1 (0.65) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL10013918 0.85 ALDH1A1 (0.65) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL10013917 0.84 ALDH1A1 (0.80) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL14159539 0.84 ALDH1A1 (0.80) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL170709 0.84 ALDH1A1 (0.62) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL506995 0.84 ALDH1A1 (0.68) ALDH1A1L3MBTL1HTTTDP1ACHE
(Chloromethyl)Benzene SCHEMBL11171704 0.83 AR (0.50) ALDH1A1L3MBTL1HTTTDP1FFAR1
SCHEMBL6839352 0.82 ALDH1A1 (0.61) ALDH1A1L3MBTL1HTTTDP1ACHE

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