SCHEMBL16564580

SCHEMBL16564580

C=C1C[C@@H]2[C@H](CC[C@@]3(CC)[C@H]2[C@H]2C[C@H]2[C@@]3(O)CCOC(=O)O)[C@H]2CCC(=O)C=C12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.37
▸ AR P10275 12/20 0.37
▸ LMNA P02545 4/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ ESR1 P03372 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SHBG P04278 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ OPRM1 P35372 2/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ NR3C2 P08235 3/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL3773101 0.89 PGR (0.39) PGRARLMNASLC6A4CYP3A4
SCHEMBL16564466 0.88 PGR (0.41) PGRARLMNACYP3A4CYP2C19
SCHEMBL16564405 0.84 PGR (0.52) PGRARLMNASLC6A4CYP3A4
SCHEMBL13372609 0.84 PGR (0.37) PGRARLMNASLC6A4CYP3A4
SCHEMBL13372603 0.84 PGR (0.37) PGRARLMNASLC6A4CYP3A4
SCHEMBL16564563 0.82 PGR (0.49) PGRARLMNASLC6A4CYP3A4
SCHEMBL16564406 0.82 PGR (0.53) PGRARLMNASLC6A4CYP3A4
SCHEMBL16564394 0.82 PGR (0.53) PGRARLMNASLC6A4CYP3A4
SCHEMBL924574 0.81 PGR (0.38) PGRARLMNASLC6A4CYP3A4
SCHEMBL923433 0.81 PGR (0.38) PGRARLMNASLC6A4CYP3A4

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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