SCHEMBL8070933

SCHEMBL8070933

CCOc1ccc(CCCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LTA4H P09960 2/20 0.44
▸ SLC5A1 P13866 1/20 0.43
▸ SLC5A2 P31639 1/20 0.43
▸ ACACB O00763 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL8070892 0.94 NQO1 (0.54) NQO1SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL8071429 0.92 NQO1 (0.52) NQO1SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL8062729 0.92 NQO1 (0.52) NQO1SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL8063380 0.92 NQO1 (0.52) NQO1SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL8078247 0.92 NQO1 (0.52) NQO1SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL8062743 0.92 NQO1 (0.52) NQO1SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL3661128 0.88 NQO1 (0.61) NQO1SIGMAR1TSHRTDP1SMN1; SMN2
SCHEMBL4248652 0.87 NQO1 (0.67) NQO1SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL8062394 0.86 LMNA (0.55) L3MBTL1TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL10575040 0.85 NQO1 (0.64) NQO1SIGMAR1MAPTRAB9AL3MBTL1

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
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 — — US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 — — US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 — — EP disclosed
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