SCHEMBL4586180

SCHEMBL4586180

CC1C(OCCl)CC2CC1C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.42
CYP17A1 P05093 8/20 0.42
TDP1 Q9NUW8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL11006192 0.78 CYP19A1 (0.43) CYP19A1CYP17A1TDP1SIGMAR1
SCHEMBL13442374 0.76 CYP19A1 (0.42) CYP19A1CYP17A1TDP1SIGMAR1
SCHEMBL10898180 0.76 CYP19A1 (0.44) CYP19A1CYP17A1TDP1
SCHEMBL13841492 0.76 CYP19A1 (0.39) CYP19A1CYP17A1SIGMAR1SCN9A
SCHEMBL23016745 0.75 CYP19A1 (0.40) CYP19A1CYP17A1TDP1
SCHEMBL6404865 0.75 CYP19A1 (0.59) CYP19A1CYP17A1TDP1SIGMAR1
SCHEMBL4585582 0.75 CYP19A1 (0.41) CYP19A1CYP17A1TDP1SCN9A
SCHEMBL13408312 0.72 CYP19A1 (0.45) CYP19A1CYP17A1TDP1
SCHEMBL23439845 0.72 CYP19A1 (0.40) CYP19A1CYP17A1TDP1SIGMAR1
SCHEMBL24133068 0.70 CYP19A1 (0.45) CYP19A1CYP17A1TDP1SIGMAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090142715-A1 LAMINATED RESIST USED FOR IMMERSION LITHOGRAPHY DAIKIN INDUSTRIES LTD. (JP) 2009-06-04 US disclosed
EP-0915699-A4 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-06-25 EP disclosed
US-20070166639-A1 Laminated resist used for immersion lithography DAIKIN INDUSTRIES LTD. (JP) 2007-07-19 US disclosed
US-20070166639-A1 Laminated resist used for immersion lithography DAIKIN INDUSTRIES LTD. (JP) 2007-07-19 US disclosed
US-20050181304-A1 Method of forming fine pattern DAIKIN INDUSTRIES, LTD 2005-08-18 US disclosed
US-6162932-A Stereoselective synthesis of endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-19 US disclosed
US-6080862-A PREPARING (1S, 2R, 3S)-3-(2-HYDROXYETH-1-YLOXY)-4-METHOXYPHENYL) 1-(3,4-METHYLENEDIOXYPHENYL) 5-(PROP-1-YLOXY)INDANE-2-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION (US) 2000-06-27 US disclosed
EP-0915699-A1 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-19 EP disclosed
WO-1997017071-A1 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed
US-5140025-A Telenzepine, ie, 4,9-dihydro-3-methyl-4-((4-methyl-1-piperazinyl)-acetyl)-1OH-thieno(3,4 -b)(1,5)-benzodiazepine BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-18 US disclosed