SCHEMBL8070892

SCHEMBL8070892

CCOc1ccc(CCCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.54
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.47
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ SLCO1B3 Q9NPD5 1/20 0.44
▸ SLCO1B1 Q9Y6L6 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.43

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
SCHEMBL8071429 0.98 NQO1 (0.52) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL8062729 0.98 NQO1 (0.52) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL8063380 0.98 NQO1 (0.52) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL8062743 0.98 NQO1 (0.52) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL8078247 0.98 NQO1 (0.52) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL8070933 0.94 NQO1 (0.56) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL4248652 0.90 NQO1 (0.67) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL10575040 0.88 NQO1 (0.64) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL8078024 0.87 LMNA (0.58) L3MBTL1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3661128 0.86 NQO1 (0.61) NQO1SIGMAR1TSHRTDP1LMNA

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
Send feedback