SCHEMBL9089192

SCHEMBL9089192

C#COC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CC/C3=C\C#N)cc1CC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.32
RXRA P19793 3/20 0.31
HSD17B1 P14061 1/20 0.30
RARA P10276 2/20 0.30
RARB P10826 2/20 0.30
RARG P13631 2/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL8671302 0.84 PGR (0.38) PGRRXRAHSD17B1RARARARB
SCHEMBL8668855 0.75 RXRA (0.34) PGRRXRAHSD17B1RARARARB
SCHEMBL8866201 0.71 HDAC3 (0.39) PGRHSD17B1RARBRARG
SCHEMBL9116437 0.70 HSD17B1 (0.35) PGRHSD17B1RARARARBRARG
SCHEMBL8836952 0.69 RARB (0.50) RARARARBRARG
SCHEMBL8836856 0.69 RARB (0.50) RARARARBRARG
SCHEMBL8670891 0.69 PGR (0.44) PGRRXRARARARARBRARG
SCHEMBL9425658 0.66 HSD17B1 (0.43) RXRAHSD17B1RXRBRXRG
SCHEMBL8331061 0.65 RARB (0.49) RARARARBRARG
SCHEMBL8671303 0.64 NPC1 (0.39) PGRRARARARBRARG

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
US-5514825-A SYNTHETIC RETINOIDS ALLERGAN, INC. (US) 1996-05-07 US disclosed