SCHEMBL13372573

SCHEMBL13372573

CC[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 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.36
▸ AR P10275 12/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ OPRM1 P35372 1/20 0.34
▸ NR3C2 P08235 3/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL13372575 1.00 PGR (0.36) PGRARLMNASLC6A4MEN1
SCHEMBL13372609 0.89 PGR (0.37) PGRARLMNASLC6A4MEN1
SCHEMBL13372603 0.89 PGR (0.37) PGRARLMNASLC6A4MEN1
SCHEMBL923874 0.89 PGR (0.38) PGRARLMNASLC6A4MEN1
SCHEMBL923258 0.89 PGR (0.38) PGRARLMNASLC6A4MEN1
SCHEMBL13372548 0.88 PGR (0.40) PGRARLMNACYP3A4NR3C1
SCHEMBL13372574 0.88 PGR (0.40) PGRARLMNACYP3A4NR3C1
SCHEMBL13372608 0.84 PGR (0.51) PGRARLMNASLC6A4MEN1
SCHEMBL13372621 0.84 PGR (0.51) PGRARLMNASLC6A4MEN1
SCHEMBL13372674 0.82 PGR (0.49) PGRARLMNASLC6A4MEN1

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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