SCHEMBL9007394

SCHEMBL9007394

CCC12CC[C@H]3[C@@H](CC=C4C=C(OC)CC[C@@H]43)[C@@H]1C=C[C@@]2(O)CC#N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.43
▸ PGR P06401 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SLC6A4 P31645 3/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ MEN1 O00255 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ SHBG P04278 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ NR3C2 P08235 2/20 0.35
▸ NR1I2 O75469 1/20 0.32
▸ SRD5A2 P31213 1/20 0.31

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
SCHEMBL9007387 1.00 AR (0.43) ARPGRLMNASLC6A4ESR1
SCHEMBL10627295 0.83 PGR (0.60) ARPGRLMNASLC6A4ESR1
SCHEMBL9222367 0.81 AR (0.39) ARPGRLMNASLC6A4ESR1
SCHEMBL9222376 0.81 AR (0.39) ARPGRLMNASLC6A4ESR1
SCHEMBL9217652 0.81 AR (0.37) ARPGRLMNASLC6A4ESR1
SCHEMBL9217656 0.81 AR (0.37) ARPGRLMNASLC6A4ESR1
SCHEMBL9007360 0.78 LMNA (0.41) ARPGRLMNASLC6A4ESR1
SCHEMBL9007369 0.78 LMNA (0.41) ARPGRLMNASLC6A4ESR1
SCHEMBL9007381 0.77 PGR (0.71) ARPGRLMNASLC6A4ESR1
SCHEMBL9007376 0.77 PGR (0.71) ARPGRLMNASLC6A4ESR1

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 3 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
WO-1992000991-A1 PROCESS FOR PRODUCING UNSATURATED 17-ALPHA-CYANOMETHYL-17-BETA-HYDROXYSTEROIDS JENAPHARM GMBH (DE) 1992-01-23 — — WO disclosed
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