SCHEMBL16564562

SCHEMBL16564562

C[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 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.63
▸ AR P10275 11/20 0.63
▸ NR3C2 P08235 1/20 0.44
▸ CYP19A1 P11511 2/20 0.41
▸ LMNA P02545 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL16564430 1.00 PGR (0.63) PGRARNR3C2CYP19A1LMNA
SCHEMBL3761697 0.89 PGR (0.64) PGRARNR3C2CYP19A1LMNA
SCHEMBL3763162 0.89 PGR (0.64) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564394 0.88 PGR (0.53) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564406 0.88 PGR (0.53) PGRARNR3C2CYP19A1LMNA
SCHEMBL13556648 0.85 PGR (0.64) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564584 0.85 PGR (0.46) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564393 0.84 PGR (0.58) PGRARCYP19A1LMNACYP3A4
SCHEMBL16564599 0.82 PGR (0.60) PGRARLMNACYP3A4TSHR
SCHEMBL16564466 0.81 PGR (0.41) PGRARCYP19A1LMNACYP3A4

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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