SCHEMBL8032218

SCHEMBL8032218

CC(C)C1=CCC(C)(C)c2ccc(C=Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 17/20 0.68
RARB P10826 17/20 0.68
RARG P13631 16/20 0.68
RXRA P19793 1/20 0.68
NR2E1 Q9Y466 1/20 0.68

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
SCHEMBL8026053 0.87 RARA (0.53) RARARARBRARGRXRANR2E1
SCHEMBL7603624 0.87 RARA (0.64) RARARARBRARGRXRANR2E1
SCHEMBL7413570 0.85 RARB (0.61) RARARARBRARGRXRANR2E1
SCHEMBL8026328 0.84 RARA (0.72) RARARARBRARGRXRANR2E1
SCHEMBL6816008 0.83 RARA (0.64) RARARARBRARGRXRANR2E1
SCHEMBL8032216 0.82 RARB (0.55) RARARARBRARGRXRANR2E1
SCHEMBL6294007 0.82 RARA (0.63) RARARARBRARGRXRANR2E1
SCHEMBL6755033 0.81 RARA (1.00) RARARARBRARGRXRANR2E1
SCHEMBL7800382 0.81 RARA (0.75) RARARARBRARGRXRANR2E1
SCHEMBL6755036 0.81 RARA (1.00) 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
WO-2000059861-A1 SELECTIVE RETINOIC ACID ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-12 WO claimed