SCHEMBL9050339

SCHEMBL9050339

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.49
RARA P10276 8/20 0.49
RARG P13631 6/20 0.49
PDK2 Q15119 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
RXRA P19793 3/20 0.38
HNF4A P41235 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL9049309 0.89 RARB (0.52) RARBRARARARGPDK2PDGFRB
SCHEMBL9051247 0.88 RARA (0.53) RARBRARARARGPDK2PDGFRB
SCHEMBL9048887 0.86 RARB (0.60) RARBRARARARGRXRA
SCHEMBL9050117 0.85 RARB (0.51) RARBRARARARGPDK2PDGFRB
SCHEMBL9117300 0.85 RARB (0.54) RARBRARARARGPDK2PDGFRB
SCHEMBL9051118 0.85 RARA (0.51) RARBRARARARGPDK2RXRA
SCHEMBL9119758 0.84 RARB (0.53) RARBRARARARGPDK2PDGFRB
SCHEMBL9051778 0.84 RARB (0.53) RARBRARARARGPDK2PDGFRB
SCHEMBL9050464 0.83 KCNH2 (0.48) RARBRARARARGPDK2KDM4E
SCHEMBL9051144 0.83 RARB (0.53) RARBRARARARGPDK2PDGFRB

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 1 patent. 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