SCHEMBL16564406

SCHEMBL16564406

CC[C@]12CC[C@H]3[C@@H](C[C@H](CO)C4=CC(=O)CC[C@@H]43)[C@@H]1[C@H]1C[C@H]1[C@@]2(O)CCOC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.53
▸ AR P10275 13/20 0.53
▸ NR3C2 P08235 2/20 0.52
▸ CYP19A1 P11511 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ SHBG P04278 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ OPRM1 P35372 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
SCHEMBL16564394 1.00 PGR (0.53) PGRARNR3C2CYP19A1LMNA
SCHEMBL3768624 0.89 PGR (0.54) PGRARNR3C2CYP19A1LMNA
SCHEMBL3763967 0.89 PGR (0.54) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564430 0.88 PGR (0.63) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564562 0.88 PGR (0.63) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564405 0.84 PGR (0.52) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564563 0.82 PGR (0.49) PGRARNR3C2LMNASLC6A4
SCHEMBL16564580 0.82 PGR (0.37) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564558 0.79 AR (0.49) PGRARNR3C2LMNASLC6A4
SCHEMBL16564338 0.79 AR (0.49) PGRARNR3C2LMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238149-B1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER IP GMBH (DE) 2015-03-18 — — EP claimed
EP-2238149-B1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER IP GMBH (DE) 2015-03-18 — — EP disclosed
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