SCHEMBL8031535

SCHEMBL8031535

CCC(C)CNC1=CCC(C)(C)c2cc(C)c(C=Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 16/20 0.53
RARB P10826 16/20 0.53
RARG P13631 15/20 0.53
RXRA P19793 3/20 0.44
NR2E1 Q9Y466 1/20 0.44
RXRB P28702 1/20 0.36
RXRG P48443 1/20 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
SCHEMBL8026585 0.92 RARA (0.55) RARARARBRARGRXRANR2E1
SCHEMBL8026160 0.87 RARA (0.56) RARARARBRARGRXRANR2E1
SCHEMBL8030269 0.86 RARA (0.53) RARARARBRARGRXRANR2E1
SCHEMBL8025904 0.85 RARA (0.54) RARARARBRARGRXRANR2E1
SCHEMBL8026773 0.85 RARA (0.56) RARARARBRARGRXRANR2E1
SCHEMBL8031537 0.83 RXRA (0.50) RARARARBRARGRXRARXRB
SCHEMBL7413570 0.82 RARB (0.61) RARARARBRARGRXRANR2E1
SCHEMBL8026150 0.81 RARA (0.52) RARARARBRARGRXRANR2E1
SCHEMBL8028110 0.78 RARA (0.58) RARARARBRARGRXRANR2E1
SCHEMBL8015897 0.76 RARA (0.61) 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 2 patents. 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
WO-2000059861-A1 SELECTIVE RETINOIC ACID ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-12 WO disclosed