SCHEMBL9706243

SCHEMBL9706243

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.57
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
AR P10275 2/20 0.37
NR3C1 P04150 2/20 0.37
PGR P06401 2/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SERPINA6 P08185 1/20 0.37
NR3C2 P08235 1/20 0.37
CYP19A1 P11511 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
MGAM O43451 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL9706248 1.00 SHBG (0.57) SHBGMAPK1POLBARNR3C1
SCHEMBL9705862 0.97 SHBG (0.56) SHBGMAPK1POLBARNR3C1
SCHEMBL9705866 0.97 SHBG (0.56) SHBGMAPK1POLBARNR3C1
SCHEMBL10883085 0.93 SHBG (0.57) SHBGMAPK1POLBARNR3C1
SCHEMBL10883090 0.93 SHBG (0.57) SHBGMAPK1POLBARNR3C1
SCHEMBL9706264 0.91 SHBG (0.57) SHBGMAPK1POLBARNR3C1
SCHEMBL9706258 0.91 SHBG (0.57) SHBGMAPK1POLBARNR3C1
SCHEMBL10408625 0.90 SHBG (0.56) SHBGMAPK1POLBARNR3C1
SCHEMBL10408627 0.90 SHBG (0.56) SHBGMAPK1POLBARNR3C1
SCHEMBL10408955 0.89 SHBG (0.55) SHBGMAPK1POLBARNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0218647-B1 SKIN TREATMENT AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-17 EP disclosed
US-4859659-A ACNE TREATMENT SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-22 US disclosed
EP-0071153-B1 ANDROSTANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1986-09-10 EP disclosed
US-4587235-A Novel androstane derivatives, process for their production, and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1986-05-06 US disclosed
US-4457925-A Androstane derivatives, process for their production, and pharmaceutical preparations containing them SCHERING, AKTIENGESELLSCHAFT (DE) 1984-07-03 US disclosed