SCHEMBL8045349

SCHEMBL8045349

COC(CC(=Cc1ccc2c(c1)C(c1ccc(C)s1)=CCC2(C)C)c1ccc(C(=O)O)cc1)OC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 17/20 0.54
RARB P10826 17/20 0.54
RARG P13631 15/20 0.54
RXRA P19793 1/20 0.48
NR2E1 Q9Y466 1/20 0.48

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
SCHEMBL8045346 1.00 RARA (0.54) RARARARBRARGRXRANR2E1
SCHEMBL8045347 1.00 RARA (0.54) RARARARBRARGRXRANR2E1
SCHEMBL5327179 0.91 RARB (0.44) RARARARBRARGRXRANR2E1
SCHEMBL5327185 0.91 RARB (0.44) RARARARBRARGRXRANR2E1
SCHEMBL5327190 0.91 RARB (0.44) RARARARBRARGRXRANR2E1
SCHEMBL8603304 0.88 RARB (0.44) RARARARBRARGRXRANR2E1
SCHEMBL8603302 0.88 RARB (0.44) RARARARBRARGRXRANR2E1
SCHEMBL8045165 0.85 RARB (0.58) RARARARBRARGRXRANR2E1
SCHEMBL7773469 0.77 RARB (0.63) RARARARBRARGRXRANR2E1
SCHEMBL5327556 0.76 RARB (0.47) RARARARBRARGRXRANR2E1

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-6087505-A Benzo[1,2-G]-chrom-3-ene, and benzo[1,2-G]-thiochrom-3-ene derivatives ALLERGAN SALES, INC. (US) 2000-07-11 US disclosed