SCHEMBL9050332

SCHEMBL9050332

CCOC(=O)c1ccc(-c2cc(C(C)=O)c3cc4c(cc3c2)C(C)(C)CCC4(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.52
RARA P10276 7/20 0.52
RARG P13631 5/20 0.52
RXRA P19793 6/20 0.42
HNF4A P41235 2/20 0.42
PDK2 Q15119 2/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
RXRG P48443 3/20 0.40
RXRB P28702 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9119758 0.93 RARB (0.53) RARBRARARARGRXRAHNF4A
SCHEMBL9050623 0.91 RARB (0.52) RARBRARARARGRXRAHNF4A
SCHEMBL9117300 0.88 RARB (0.54) RARBRARARARGRXRAHNF4A
SCHEMBL9051778 0.87 RARB (0.53) RARBRARARARGRXRAHNF4A
SCHEMBL9051144 0.86 RARB (0.53) RARBRARARARGRXRAHNF4A
SCHEMBL9049309 0.85 RARB (0.52) RARBRARARARGRXRAHNF4A
SCHEMBL9120469 0.85 RARB (0.52) RARBRARARARGRXRAHNF4A
SCHEMBL9048881 0.84 RARB (0.66) RARBRARARARGRXRARXRG
SCHEMBL9051247 0.84 RARA (0.53) RARBRARARARGRXRAHNF4A
SCHEMBL9050117 0.84 RARB (0.51) RARBRARARARGRXRAHNF4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995033745-A9 NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY 1996-01-18 WO disclosed
WO-1995033745-A2 NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY SRI INTERNATIONAL (US) 1995-12-14 WO disclosed