SCHEMBL9501786

SCHEMBL9501786

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.55
NQO1 P15559 1/20 0.52
ACACB O00763 3/20 0.47
ACACA Q13085 2/20 0.47
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PARP10 Q53GL7 1/20 0.38
RELA Q04206 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PRSS1 P07477 1/20 0.38

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
SCHEMBL9502138 0.83 LTA4H (0.57) LTA4HNQO1ACACBACACATSHR
SCHEMBL6285912 0.79 NQO1 (0.82) LTA4HNQO1TSHRTDP1SLC6A2
SCHEMBL12476726 0.79 NQO1 (0.82) LTA4HNQO1TSHRTDP1SLC6A2
SCHEMBL28184223 0.78 NQO1 (0.64) LTA4HNQO1ACACBTSHRTDP1
SCHEMBL28035026 0.76 NQO1 (0.61) LTA4HNQO1ACACBACACATSHR
SCHEMBL3606244 0.76 MIF (0.49) TSHRTDP1L3MBTL1CA12CA1
SCHEMBL7315741 0.75 LTA4H (0.38) LTA4HACACBACACA
SCHEMBL11520805 0.74 NQO1 (0.52) LTA4HNQO1TSHRTDP1PARP10
SCHEMBL6292553 0.74 LTA4H (0.65) LTA4HNQO1TSHRTDP1SLC6A2
SCHEMBL12188825 0.74 NQO1 (0.64) LTA4HNQO1ACACBTSHRTDP1

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 2 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