SCHEMBL8771827

SCHEMBL8771827

Cc1ccc(C2=CCC(C)(C)c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc32)c(C)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARA P10276 18/20 0.78
RARB P10826 16/20 0.78
RARG P13631 13/20 0.78
CYP26A1 O43174 3/20 0.53
CYP3A4 P08684 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
TBXA2R P21731 1/20 0.47
BLVRB P30043 1/20 0.47
RXRA P19793 1/20 0.47
NR2E1 Q9Y466 1/20 0.47

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
SCHEMBL8771679 0.88 RARB (0.59) RARARARBRARGRXRANR2E1
SCHEMBL6239917 0.88 RARB (1.00) RARARARBRARGRXRANR2E1
SCHEMBL4757231 0.83 RARA (1.00) RARARARBRARGCYP26A1CYP3A4
SCHEMBL4654688 0.82 RARA (0.72) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8981664 0.82 RARA (0.71) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8771715 0.82 RARA (0.77) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8981775 0.80 RARA (0.82) RARARARBRARGCYP26A1CYP3A4
SCHEMBL4653891 0.80 RARA (0.81) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8981781 0.80 RARA (0.77) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8981692 0.79 RARA (0.76) RARARARBRARGCYP26A1CYP3A4

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 7 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 claimed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US claimed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP claimed
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
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed