SCHEMBL8771815

SCHEMBL8771815

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.55
RXRA P19793 13/20 0.55
RARG P13631 12/20 0.55
RXRB P28702 8/20 0.55
RXRG P48443 6/20 0.55
RARA P10276 12/20 0.54
CYP26A1 O43174 4/20 0.54
CYP26B1 Q9NR63 1/20 0.54
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GMNN O75496 1/20 0.48

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
SCHEMBL846110 0.80 RARB (0.81) RARBRXRARARGRXRBRXRG
SCHEMBL29827631 0.80 RARB (0.81) RARBRXRARARGRXRBRXRG
SCHEMBL8771841 0.80 RARB (0.58) RARBRXRARARGRXRBRXRG
SCHEMBL8981549 0.79 RARB (0.51) RARBRXRARARGRXRBRXRG
Hydrochloric Acid SCHEMBL9120757 0.78 RARB (0.78) RARBRXRARARGRXRBRXRG
SCHEMBL8771681 0.78 RARB (0.53) RARBRXRARARGRXRBRXRG
SCHEMBL8771781 0.77 RARB (0.67) RARBRXRARARGRXRBRXRG
Hydrazine SCHEMBL9430381 0.77 RARB (0.76) RARBRXRARARGRXRBRXRG
SCHEMBL8669998 0.75 RARB (0.54) RARBRXRARARGRXRBRXRG
SCHEMBL8771721 0.72 RXRA (0.60) RARBRXRARARGRXRBRXRG

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 4 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
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed