SCHEMBL9502138

SCHEMBL9502138

CCOc1ccc(Oc2ccc(C(C)Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
NQO1 P15559 1/20 0.54
ACACB O00763 9/20 0.51
ACACA Q13085 2/20 0.51
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL11737701 0.85 ALDH1A1 (0.38) LTA4HACACBACACATDP1TSHR
SCHEMBL9501786 0.83 LTA4H (0.55) LTA4HNQO1ACACBACACATDP1
SCHEMBL12476726 0.81 NQO1 (0.82) LTA4HNQO1TDP1TSHRMAPT
SCHEMBL6285912 0.81 NQO1 (0.82) LTA4HNQO1TDP1TSHRMAPT
SCHEMBL7560598 0.78 LTA4H (0.52) LTA4HACACBACACATSHRHPGD
SCHEMBL8036452 0.78 NQO1 (0.61) LTA4HNQO1ACACBACACATDP1
SCHEMBL12203937 0.77 NQO1 (0.67) LTA4HNQO1ACACBACACATDP1
SCHEMBL683602 0.77 NQO1 (0.67) LTA4HNQO1ACACBACACATDP1
SCHEMBL16596461 0.76 LTA4H (0.61) LTA4HNQO1ACACBACACATDP1
SCHEMBL2949090 0.76 NQO1 (0.52) LTA4HNQO1ACACBACACATDP1

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 3 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
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed