SCHEMBL9117300

SCHEMBL9117300

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.54
RARA P10276 9/20 0.54
RARG P13631 6/20 0.54
PDK2 Q15119 2/20 0.43
RXRA P19793 7/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
HNF4A P41235 2/20 0.42
RXRG P48443 3/20 0.42
RXRB P28702 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL9051778 0.90 RARB (0.53) RARBRARARARGPDK2RXRA
SCHEMBL9119758 0.90 RARB (0.53) RARBRARARARGPDK2RXRA
SCHEMBL9050117 0.89 RARB (0.51) RARBRARARARGPDK2RXRA
SCHEMBL9051144 0.89 RARB (0.53) RARBRARARARGPDK2RXRA
SCHEMBL9049309 0.88 RARB (0.52) RARBRARARARGPDK2RXRA
SCHEMBL9050623 0.88 RARB (0.52) RARBRARARARGRXRAHNF4A
SCHEMBL9050332 0.88 RARB (0.52) RARBRARARARGPDK2RXRA
SCHEMBL9120469 0.88 RARB (0.52) RARBRARARARGPDK2RXRA
SCHEMBL9051247 0.87 RARA (0.53) RARBRARARARGPDK2RXRA
SCHEMBL9051118 0.86 RARA (0.51) RARBRARARARGPDK2RXRA

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-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