SCHEMBL16572817

SCHEMBL16572817

Cc1ccc(S(=O)(=O)OCC2CC3C(CCC4(C)C3[C@H]3C[C@H]3[C@@]43CCC(=O)O3)C3CCC(=O)C=C23)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.69
▸ AR P10275 13/20 0.69
▸ LMNA P02545 1/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ CYP19A1 P11511 2/20 0.39
▸ NR3C2 P08235 1/20 0.34
▸ STS P08842 1/20 0.30

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
SCHEMBL12998965 1.00 PGR (0.69) PGRARLMNAABCC4ABCB11
SCHEMBL12943045 0.82 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL16572801 0.82 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12998959 0.82 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL16564584 0.81 PGR (0.46) PGRARLMNACYP19A1NR3C2
SCHEMBL3763146 0.81 PGR (0.46) PGRARLMNAABCB11CYP19A1
SCHEMBL13372567 0.81 PGR (0.46) PGRARCYP19A1NR3C2
SCHEMBL926798 0.81 PGR (0.45) PGRARLMNACYP19A1NR3C2
SCHEMBL923899 0.81 PGR (0.45) PGRARLMNACYP19A1NR3C2
SCHEMBL12942741 0.80 AR (0.42) PGRARLMNAABCB11NR3C1

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 1 patent. 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 disclosed
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