SCHEMBL16572820

SCHEMBL16572820

C[C@@H]1CC2=CC(=O)CCC2C2CCC3(C)C(C21)C1C[C@H]1[C@@]31CCC(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 18/20 1.00
▸ PGR P06401 17/20 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 0.53

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
SCHEMBL16572805 1.00 AR (1.00) ARPGRLMNAABCC4ABCB11
SCHEMBL12998970 1.00 AR (1.00) ARPGRLMNAABCC4ABCB11
SCHEMBL12998954 1.00 AR (1.00) ARPGRLMNAABCC4ABCB11
SCHEMBL12942954 1.00 AR (1.00) ARPGRLMNAABCC4ABCB11
SCHEMBL12998916 0.90 AR (0.82) ARPGRLMNAABCC4ABCB11
SCHEMBL12998973 0.89 PGR (1.00) ARPGRLMNAABCC4ABCB11
SCHEMBL12998957 0.89 PGR (1.00) ARPGRLMNAABCC4ABCB11
SCHEMBL12943026 0.89 PGR (1.00) ARPGRLMNAABCC4ABCB11
SCHEMBL16572803 0.89 PGR (1.00) ARPGRLMNAABCC4ABCB11
SCHEMBL12942952 0.88 AR (0.78) ARPGRLMNAABCC4ABCB11

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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