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Sugi Predict / Compounds / SCHEMBL16572803

SCHEMBL16572803

SCHEMBL16572803

C[C@]12CCC3C4CCC(=O)C=C4CC(C4CC4)C3C1C1C[C@H]1C21CCC(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 18/20 1.00
▸ AR P10275 18/20 1.00
▸ LMNA P02545 1/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ NR3C1 P04150 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ NR3C2 P08235 2/20 0.43

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
SCHEMBL12998957 1.00 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12943026 1.00 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12998973 1.00 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12998915 0.90 AR (0.82) PGRARLMNAABCC4ABCB11
SCHEMBL16572805 0.89 AR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL16572820 0.89 AR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12998954 0.89 AR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12942954 0.89 AR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12998970 0.89 AR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12943021 0.88 PGR (0.78) PGRARLMNAABCC4ABCB11

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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