SCHEMBL8771659

SCHEMBL8771659

CC1(C)CC=C(c2ccccc2F)c2cc(C(=O)O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 19/20 0.59
RARB P10826 19/20 0.59
RARG P13631 17/20 0.59
RXRA P19793 1/20 0.58
NR2E1 Q9Y466 1/20 0.58

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
SCHEMBL8771715 0.88 RARA (0.77) RARARARBRARGRXRANR2E1
SCHEMBL8771650 0.84 RARB (0.77) RARARARBRARGRXRANR2E1
SCHEMBL12366091 0.82 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL8884064 0.80 RARA (0.63) RARARARBRARG
SCHEMBL4652247 0.78 RARA (0.73) RARARARBRARGRXRANR2E1
SCHEMBL8771679 0.78 RARB (0.59) RARARARBRARGRXRANR2E1
SCHEMBL6238148 0.77 RARB (0.77) RARARARBRARGRXRANR2E1
SCHEMBL6294046 0.77 RARB (0.78) RARARARBRARGRXRANR2E1
SCHEMBL8026323 0.76 RARB (0.71) RARARARBRARGRXRANR2E1
SCHEMBL8771833 0.76 RARB (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
CN-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed