SCHEMBL8771833

SCHEMBL8771833

CC1=CCC(C)(C)c2ccc(C(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 18/20 0.52
RARA P10276 17/20 0.52
RARG P13631 15/20 0.52
RXRA P19793 1/20 0.51
NR2E1 Q9Y466 1/20 0.51

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
SCHEMBL8029781 0.91 RARB (0.57) RARBRARARARGRXRANR2E1
SCHEMBL8026327 0.89 RARB (0.59) RARBRARARARGRXRANR2E1
SCHEMBL4654688 0.86 RARA (0.72) RARBRARARARGRXRANR2E1
SCHEMBL7642416 0.85 RARB (0.71) RARBRARARARG
SCHEMBL8026328 0.85 RARA (0.72) RARBRARARARGRXRANR2E1
SCHEMBL4653632 0.83 RARA (0.63) RARBRARARARGRXRANR2E1
SCHEMBL8771863 0.81 RARB (0.51) RARBRARARARGRXRANR2E1
SCHEMBL6297202 0.81 RARB (0.51) RARBRARARARGRXRANR2E1
SCHEMBL6238148 0.80 RARB (0.77) RARBRARARARGRXRANR2E1
SCHEMBL4800900 0.80 RARB (0.52) RARBRARARARGRXRANR2E1

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