SCHEMBL13372564

SCHEMBL13372564

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1[C@H]1C[C@H]1[C@@]2(O)/C=C\OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.46
▸ PGR P06401 13/20 0.46
▸ NR3C2 P08235 2/20 0.46
▸ NR3C1 P04150 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 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
SCHEMBL13372614 1.00 AR (0.46) ARPGRNR3C2NR3C1PDE4D
SCHEMBL923848 0.88 AR (0.48) ARPGRNR3C2NR3C1PDE4D
SCHEMBL923996 0.88 AR (0.48) ARPGRNR3C2NR3C1PDE4D
SCHEMBL13372689 0.87 AR (0.48) ARPGRNR3C2NR3C1LMNA
SCHEMBL13372615 0.87 AR (0.48) ARPGRNR3C2NR3C1LMNA
SCHEMBL16564526 0.82 AR (0.46) ARPGRNR3C2NR3C1PDE4D
SCHEMBL13372624 0.81 PGR (0.58) ARPGRNR3C2NR3C1LMNA
SCHEMBL13372623 0.81 PGR (0.58) ARPGRNR3C2NR3C1LMNA
SCHEMBL13372649 0.79 AR (0.60) ARPGRNR3C2LMNACYP3A4
SCHEMBL13372598 0.79 AR (0.60) ARPGRNR3C2LMNACYP3A4

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-2238150-B1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP claimed
EP-2238150-B1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
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