SCHEMBL8771814

SCHEMBL8771814

CC1(C)CC=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.55
RARA P10276 14/20 0.55
RARG P13631 14/20 0.55
RXRA P19793 1/20 0.55
NR2E1 Q9Y466 1/20 0.55
PTGS2 P35354 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PDE4D Q08499 1/20 0.43
CHRM1 P11229 1/20 0.42

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
SCHEMBL8771766 0.79 PTGS2 (0.48) PTGS2PTGDR2LMNAHPGDPDE4D
SCHEMBL6261635 0.79 RARB (0.57) RARBRARARARGRXRANR2E1
SCHEMBL8771791 0.75 RARB (0.54) RARBRARARARGRXRANR2E1
SCHEMBL20636833 0.74 RARB (0.65) RARBRARARARGRXRANR2E1
SCHEMBL12365355 0.73 RARB (0.67) RARBRARARARGRXRANR2E1
SCHEMBL5847717 0.71 PTGS2 (0.59) RARBRARARARGRXRAPTGS2
SCHEMBL8026323 0.71 RARB (0.71) RARBRARARARGRXRANR2E1
SCHEMBL6210444 0.70 RARA (1.00) RARBRARARARGRXRANR2E1
SCHEMBL20636874 0.70 RARB (0.66) RARBRARARARGRXRANR2E1
SCHEMBL20848217 0.70 RARA (0.66) 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