SCHEMBL9706258

SCHEMBL9706258

CCCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.57
STS P08842 7/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B3 P37058 3/20 0.40
AR P10275 2/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
SERPINA6 P08185 1/20 0.37
NR3C2 P08235 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37

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
SCHEMBL9706264 1.00 SHBG (0.57) SHBGSTSPOLBMAPK1HSD17B3
SCHEMBL10408625 0.97 SHBG (0.56) SHBGSTSPOLBMAPK1HSD17B3
SCHEMBL10408627 0.97 SHBG (0.56) SHBGSTSPOLBMAPK1HSD17B3
SCHEMBL10408953 0.96 SHBG (0.55) SHBGSTSPOLBMAPK1HSD17B3
SCHEMBL10408955 0.96 SHBG (0.55) SHBGSTSPOLBMAPK1HSD17B3
Rosterolone SCHEMBL141283 0.93 SHBG (0.57) SHBGSTSPOLBMAPK1HSD17B3
Rosterolone SCHEMBL8724124 0.93 SHBG (0.57) SHBGSTSPOLBMAPK1HSD17B3
Rosterolone SCHEMBL7094611 0.93 SHBG (0.57) SHBGSTSPOLBMAPK1HSD17B3
SCHEMBL9706248 0.91 SHBG (0.57) SHBGSTSPOLBMAPK1AR
SCHEMBL9706243 0.91 SHBG (0.57) SHBGSTSPOLBMAPK1AR

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-4892867-A Antiandrogenic 17-alpha-alkyl steroids SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-09 US claimed
EP-0027961-B1 17-ALPHA-SUBSTITUTED STEROIDS, PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1983-01-12 EP claimed
EP-0027961-A1 17-alpha-substituted steroids, preparations containing them and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 1981-05-06 EP claimed
EP-0218647-B1 SKIN TREATMENT AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-17 EP disclosed
US-4892867-A Antiandrogenic 17-alpha-alkyl steroids SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-09 US disclosed
US-4859659-A ACNE TREATMENT SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-22 US disclosed
US-4558041-A ACNE, DEPILATORIES; BALDNESS SCHERING AKTIENGESELLSCHAFT (DE) 1985-12-10 US disclosed
US-4456600-A Antiandrogenic 17α-alkyl steroids SCHERING, AKTIENGESELLSCHAFT (A.G.) (DE) 1984-06-26 US disclosed
US-4344941-A Antiandrogenic 17α-substituted steroids SCHERING AKTIENGESELLSCHAFT (A.G.) (DE) 1982-08-17 US disclosed
EP-0027961-A1 17-alpha-substituted steroids, preparations containing them and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 1981-05-06 EP disclosed