SCHEMBL13768601

SCHEMBL13768601

C[C@]12CCC3C4CCC(=O)C=C4C4(CC4)CC3C1C1C[C@H]1C21CCC(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 15/20 1.00
▸ AR P10275 15/20 1.00
▸ LMNA P02545 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ NR3C1 P04150 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ HTR2A P28223 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ NR3C2 P08235 2/20 0.38
▸ CYP19A1 P11511 2/20 0.36

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
SCHEMBL13768598 1.00 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL16572807 1.00 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12998963 1.00 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL13768461 1.00 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12943046 1.00 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12998918 0.90 PGR (0.82) PGRARLMNAABCC4ABCB11
SCHEMBL12943137 0.88 PGR (0.78) PGRARLMNAABCC4ABCB11
SCHEMBL12943029 0.85 PGR (0.75) PGRARLMNAABCC4ABCB11
SCHEMBL12942848 0.85 PGR (0.74) PGRARLMNAABCC4ABCB11
SCHEMBL16572795 0.85 PGR (1.00) 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
WO-2009083272-A2 19-NOR-STEROID DERIVATIVES WITH A 15α,16α-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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