SCHEMBL9222376

SCHEMBL9222376

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.39
▸ PGR P06401 10/20 0.39
▸ SLC6A4 P31645 5/20 0.39
▸ ESR1 P03372 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NR3C1 P04150 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SHBG P04278 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ NR1I2 O75469 2/20 0.36
▸ SRD5A2 P31213 2/20 0.36
▸ NR3C2 P08235 3/20 0.35
▸ SLC6A2 P23975 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL9222367 1.00 AR (0.39) ARPGRSLC6A4ESR1LMNA
SCHEMBL4111659 0.83 SRD5A2 (0.37) ARPGRSLC6A4ESR1LMNA
SCHEMBL9007394 0.81 AR (0.43) ARPGRSLC6A4ESR1LMNA
SCHEMBL9007387 0.81 AR (0.43) ARPGRSLC6A4ESR1LMNA
SCHEMBL11863797 0.77 SRD5A2 (0.40) ARPGRSLC6A4ESR1LMNA
SCHEMBL11863792 0.77 SRD5A2 (0.40) ARPGRSLC6A4ESR1LMNA
SCHEMBL17634423 0.77 PGR (0.41) ARPGRSLC6A4ESR1LMNA
SCHEMBL17591552 0.77 PGR (0.41) ARPGRSLC6A4ESR1LMNA
SCHEMBL8816492 0.77 PGR (0.41) ARPGRSLC6A4ESR1LMNA
SCHEMBL16389404 0.77 PGR (0.41) ARPGRSLC6A4ESR1LMNA

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
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