SCHEMBL16564526

SCHEMBL16564526

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)CCOC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.46
▸ PGR P06401 13/20 0.46
▸ NR3C2 P08235 2/20 0.46
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NR3C1 P04150 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL3773112 0.88 AR (0.48) ARPGRNR3C2LMNACYP3A4
SCHEMBL16564596 0.88 AR (0.49) ARPGRNR3C2LMNACYP3A4
SCHEMBL13372564 0.82 AR (0.46) ARPGRNR3C2LMNACYP3A4
SCHEMBL13372614 0.82 AR (0.46) ARPGRNR3C2LMNACYP3A4
SCHEMBL16564393 0.81 PGR (0.58) ARPGRLMNACYP3A4CYP2C19
SCHEMBL923848 0.79 AR (0.48) ARPGRNR3C2LMNACYP3A4
SCHEMBL923996 0.79 AR (0.48) ARPGRNR3C2LMNACYP3A4
SCHEMBL13556644 0.79 AR (0.52) ARPGRNR3C2LMNACYP3A4
SCHEMBL16564599 0.79 PGR (0.60) ARPGRLMNACYP3A4CYP2C19
SCHEMBL16564564 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-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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