SCHEMBL13372574

SCHEMBL13372574

C[C@]12CC[C@H]3[C@@H](CC(=CO)C4=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 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.40
▸ AR P10275 10/20 0.40
▸ CYP19A1 P11511 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ABCB11 O95342 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
SCHEMBL13372548 1.00 PGR (0.40) PGRARCYP19A1NR3C1PDE4D
SCHEMBL13372687 0.89 PGR (0.40) PGRARCYP19A1NR3C1PDE4D
SCHEMBL13372639 0.89 PGR (0.40) PGRARCYP19A1NR3C1PDE4D
SCHEMBL922896 0.89 PGR (0.39) PGRARCYP19A1NR3C1PDE4D
SCHEMBL924476 0.89 PGR (0.39) PGRARCYP19A1NR3C1PDE4D
SCHEMBL13372575 0.88 PGR (0.36) PGRARCYP19A1NR3C1LMNA
SCHEMBL13372573 0.88 PGR (0.36) PGRARCYP19A1NR3C1LMNA
SCHEMBL13372623 0.83 PGR (0.58) PGRARCYP19A1NR3C1LMNA
SCHEMBL13372624 0.83 PGR (0.58) PGRARCYP19A1NR3C1LMNA
SCHEMBL13372652 0.81 PGR (0.60) PGRARNR3C1LMNACYP3A4

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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