SCHEMBL6925549

SCHEMBL6925549

CCCCCCCOC(=Cc1cccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 4/20 0.40
RARG P13631 3/20 0.37
HNF4A P41235 1/20 0.36
BACE1 P56817 1/20 0.35
RARB P10826 2/20 0.35
PTPN11 Q06124 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GLO1 Q04760 1/20 0.34
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL6870763 0.93 RXRA (0.43) RXRARXRBRXRGRARGHNF4A
SCHEMBL6928615 0.93 RXRA (0.43) RXRARXRBRXRGRARGBACE1
SCHEMBL6927632 0.87 RXRA (0.44) RXRARXRBRXRGRARGBACE1
SCHEMBL6927451 0.86 RXRA (0.42) RXRARXRBRXRGRARGBACE1
SCHEMBL6879674 0.85 RXRA (0.47) RXRARXRBRXRGRARGRARB
SCHEMBL6870970 0.77 RXRA (0.48) RXRARXRBRXRGRARGRARB
SCHEMBL6876540 0.77 RXRA (0.47) RXRARXRBRXRGRARGRARB
SCHEMBL6876425 0.76 RXRA (0.53) RXRARXRBRXRGRARGRARB
SCHEMBL6874284 0.76 RXRA (0.50) RXRARXRBRXRGRARGBACE1
SCHEMBL6926719 0.75 RXRA (0.48) RXRARXRBRXRGRARGRARB

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
US-6515021-B1 Bicyclic aromatic compounds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2003-02-04 US disclosed