SCHEMBL9007396

SCHEMBL9007396

CCC12CC[C@H]3[C@@H](CC=C4C=C(OC)CC[C@@H]43)[C@@H]1C=CC2=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.36
AR P10275 3/20 0.32
PGR P06401 2/20 0.32
NR3C2 P08235 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL2320541 1.00 SRD5A2 (0.36) SRD5A2ARPGRNR3C2LMNA
SCHEMBL2324082 0.92 SRD5A2 (0.35) SRD5A2ARPGRNR3C2
SCHEMBL12446650 0.86 SRD5A2 (0.39) SRD5A2ARPGRNR3C2LMNA
SCHEMBL9222958 0.81 SRD5A2 (0.49) SRD5A2
SCHEMBL3356468 0.81 SRD5A2 (0.49) SRD5A2
SCHEMBL923303 0.79 SRD5A2 (0.36) SRD5A2
SCHEMBL12904870 0.79 SRD5A2 (0.36) SRD5A2
SCHEMBL13333281 0.79 SRD5A2 (0.36) SRD5A2
SCHEMBL13797597 0.79 SRD5A2 (0.36) SRD5A2
SCHEMBL4102408 0.77 SRD5A2 (0.39) SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538348-B1 UNSATURATED 15-DEHYDRO-17alpha-CYANOMETHYL-17beta- HYDROXYSTEROIDS JENAPHARM GMBH (DE) 1996-10-02 EP disclosed
US-5438134-A Endocrine disorders, reproductive control JENAPHARM GMBH (DE) 1995-08-01 US disclosed
EP-0538348-A1 PROCESS FOR PRODUCING UNSATURATED 17-ALPHA-CYANOMETHYL-17-BETA-HYDROXYSTEROIDS. JENAPHARM GMBH (DE) 1993-04-28 EP disclosed
WO-1992000991-A1 PROCESS FOR PRODUCING UNSATURATED 17-ALPHA-CYANOMETHYL-17-BETA-HYDROXYSTEROIDS JENAPHARM GMBH (DE) 1992-01-23 WO disclosed