SCHEMBL9050596

SCHEMBL9050596

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.47
RARA P10276 7/20 0.47
RARG P13631 4/20 0.47
PDK2 Q15119 2/20 0.44
HNF4A P41235 5/20 0.39
RXRA P19793 5/20 0.39
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL9119993 0.89 RARA (0.46) RARBRARARARGPDK2HNF4A
SCHEMBL9062592 0.88 RARB (0.50) RARBRARARARGPDK2HNF4A
SCHEMBL9117300 0.82 RARB (0.54) RARBRARARARGPDK2HNF4A
SCHEMBL9120469 0.82 RARB (0.52) RARBRARARARGPDK2HNF4A
SCHEMBL9051778 0.81 RARB (0.53) RARBRARARARGPDK2HNF4A
SCHEMBL9119758 0.81 RARB (0.53) RARBRARARARGPDK2HNF4A
SCHEMBL9051144 0.81 RARB (0.53) RARBRARARARGPDK2HNF4A
SCHEMBL9050623 0.80 RARB (0.52) RARBRARARARGHNF4ARXRA
SCHEMBL9049309 0.80 RARB (0.52) RARBRARARARGPDK2HNF4A
SCHEMBL9050332 0.80 RARB (0.52) RARBRARARARGPDK2HNF4A

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