SCHEMBL8749434

SCHEMBL8749434

CCC1C[CH]CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
SHBG P04278 1/20 0.30

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
SCHEMBL1038101 0.98
SCHEMBL42926 0.91
SCHEMBL1039285 0.84 CYP1A2 (0.34) CYP1A2
SCHEMBL147332 0.83
SCHEMBL11851017 0.80 CYP1A2 (0.41) CYP1A2
SCHEMBL9403435 0.79 CYP1A2 (0.63) CYP1A2
SCHEMBL9658057 0.77 CYP1A2 (0.33) CYP1A2
SCHEMBL7980378 0.77 CYP1A2 (0.33) CYP1A2
SCHEMBL3016217 0.77 SIGMAR1 (0.41) CYP1A2
SCHEMBL3030412 0.77 SIGMAR1 (0.37) CYP1A2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639885-A Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1997-06-17 US disclosed
US-5637601-A ANTIPERSPIRANT, MYDRIATIC, ANTISECRETORY AGENTS UNIVERSITY OF FLORIDA (US) 1997-06-10 US disclosed
US-5618826-A Anticholinergic compounds, compositions and methods of treatment UNIVERSITY OF FLORIDA (US) 1997-04-08 US disclosed
US-5618803-A TO BRAIN UNIVERSITY OF FLORIDA (US) 1997-04-08 US disclosed
EP-0539493-B1 TARGETED DRUG DELIVERY VIA PHOSPHONATE DERIVATIVES BODOR NICHOLAS S (US) 1997-03-26 EP disclosed
US-5610188-A MYDRIATICS, ANTIPERSPIRANTS UNIVERSITY OF FLORIDA (US) 1997-03-11 US disclosed
US-5576332-A Soft β-drenegic blocking agents IVAX International GmbH (CH) 1996-11-19 US disclosed
US-5482961-A Soft β-adrenergic blocking agents IVAX International GmbH (CH) 1996-01-09 US disclosed
US-5418244-A Antiperspirants, mydriatic UNIVERSITY OF FLORIDA (US) 1995-05-23 US disclosed
US-5413996-A Delivery of steroid sex hormone or antiinflammatory steroid to the brain UNIVERSITY OF FLORIDA (US) 1995-05-09 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
EP-0174956-A1 SOFT -g(b)-ADRENERGIC BLOCKING AGENTS. BODOR NICHOLAS S 1986-03-26 EP disclosed
US-4564620-A 5,6,7,-Trinor-4,8-inter-m-phenylene PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1986-01-14 US disclosed
EP-0060640-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1985-11-13 EP disclosed
WO-1985004168-A1 SOFT beta-ADRENERGIC BLOCKING AGENTS BODOR NICHOLAS S 1985-09-26 WO disclosed
EP-0024943-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1983-08-17 EP disclosed
EP-0060640-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1982-09-22 EP disclosed
US-4301164-A FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS TORAY INDUSTRIES, INC. (JP) 1981-11-17 US disclosed
EP-0024943-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1981-03-11 EP disclosed