SCHEMBL9217656

SCHEMBL9217656

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.37
▸ PGR P06401 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ NR3C2 P08235 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
SCHEMBL9217652 1.00 AR (0.37) ARPGRLMNAESR1SLC6A4
SCHEMBL9007387 0.81 AR (0.43) ARPGRLMNAESR1SLC6A4
SCHEMBL9007394 0.81 AR (0.43) ARPGRLMNAESR1SLC6A4
SCHEMBL9007381 0.71 PGR (0.71) ARPGRLMNAESR1SLC6A4
SCHEMBL9007376 0.71 PGR (0.71) ARPGRLMNAESR1SLC6A4
SCHEMBL9007403 0.66 ESR1 (0.48) PGRLMNAESR1SLC6A4
SCHEMBL9007369 0.66 LMNA (0.41) ARPGRLMNAESR1SLC6A4
SCHEMBL9007398 0.66 ESR1 (0.48) PGRLMNAESR1SLC6A4
SCHEMBL9007360 0.66 LMNA (0.41) ARPGRLMNAESR1SLC6A4
SCHEMBL9007380 0.65 STS (0.51) ARPGRLMNAESR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438134-A Endocrine disorders, reproductive control JENAPHARM GMBH (DE) 1995-08-01 — — US disclosed
Send feedback