SCHEMBL5173586

SCHEMBL5173586

C[C@]12CC=C3[C@@H](CCC4CCCC[C@]34C)[C@@H]1CCC2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ USP2 O75604 1/20 0.34
▸ CYP19A1 P11511 8/20 0.33

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
SCHEMBL19576374 0.82 TSHR (0.56) ALDH1A1TSHRUSP2
SCHEMBL20980007 0.80 ALDH1A1 (0.42) ALDH1A1TSHRCYP19A1
SCHEMBL18994259 0.78 CYP19A1 (0.52) CYP19A1
SCHEMBL22926056 0.78 CYP19A1 (0.52) CYP19A1
SCHEMBL19576455 0.77 CYP19A1 (0.46) ALDH1A1TSHRUSP2CYP19A1
SCHEMBL10603561 0.75 USP2 (0.36) ALDH1A1TSHRUSP2CYP19A1
SCHEMBL10603569 0.75 USP2 (0.36) ALDH1A1TSHRUSP2CYP19A1
SCHEMBL10061275 0.74 ALDH1A1 (0.40) ALDH1A1TSHRUSP2CYP19A1
SCHEMBL5307782 0.73 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL10779047 0.73 ALDH1A1 (0.42) ALDH1A1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790843-B1 C-19-halogen-substituted steroids of the androst-9(11)-ene-series, methods for the production and use thereof SCHERING AG (DE) 2004-09-14 — — US claimed
EP-1196427-B1 C-19-HALOGEN-SUBSTITUTED STEROIDS OF THE ANDROST-9(11)-ENE-SERIES, METHODS FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2007-05-23 — — EP disclosed
US-6790843-B1 C-19-halogen-substituted steroids of the androst-9(11)-ene-series, methods for the production and use thereof SCHERING AG (DE) 2004-09-14 — — US disclosed
US-6790843-B1 C-19-halogen-substituted steroids of the androst-9(11)-ene-series, methods for the production and use thereof SCHERING AG (DE) 2004-09-14 — — US disclosed
WO-2001005805-A9 NOVEL C-19-HALOGEN-SUBSTITUTED, 5-SUBSTITUTED, 5-SUBSTITUTED OR 6,10 CARBOCYCLICALLY CONDENSED STEROIDS OF THE ANDROST-9(11)-ENE-SERIES, METHODS FOR THE PRODUCTION AND USE THEREOF SCHERING AG (DE) 2003-01-23 — — WO disclosed
WO-2001005805-A9 NOVEL C-19-HALOGEN-SUBSTITUTED, 5-SUBSTITUTED, 5-SUBSTITUTED OR 6,10 CARBOCYCLICALLY CONDENSED STEROIDS OF THE ANDROST-9(11)-ENE-SERIES, METHODS FOR THE PRODUCTION AND USE THEREOF SCHERING AG (DE) 2003-01-23 — — WO disclosed
EP-1196427-A2 NOVEL C-19-HALOGEN-SUBSTITUTED STEROIDS OF THE ANDROST-9(11)-ENE-SERIES, METHODS FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-17 — — EP disclosed
EP-1196427-A2 NOVEL C-19-HALOGEN-SUBSTITUTED STEROIDS OF THE ANDROST-9(11)-ENE-SERIES, METHODS FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-17 — — EP disclosed
WO-2001005805-A3 NOVEL C-19-HALOGEN-SUBSTITUTED, 5-SUBSTITUTED, 5-SUBSTITUTED OR 6,10 CARBOCYCLICALLY CONDENSED STEROIDS OF THE ANDROST-9(11)-ENE-SERIES, METHODS FOR THE PRODUCTION AND USE THEREOF SCHERING AG (DE) 2001-09-13 — — WO disclosed
WO-2001005805-A2 NOVEL C-19-HALOGEN-SUBSTITUTED, 5-SUBSTITUTED, 5-SUBSTITUTED OR 6,10 CARBOCYCLICALLY CONDENSED STEROIDS OF THE ANDROST-9(11)-ENE-SERIES, METHODS FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2001-01-25 — — WO disclosed
WO-2001005805-A2 NOVEL C-19-HALOGEN-SUBSTITUTED, 5-SUBSTITUTED, 5-SUBSTITUTED OR 6,10 CARBOCYCLICALLY CONDENSED STEROIDS OF THE ANDROST-9(11)-ENE-SERIES, METHODS FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2001-01-25 — — WO disclosed
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