SCHEMBL7879903

SCHEMBL7879903

C=CCOC(=O)c1ccc(C(=C)C(=O)Oc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.44
RXRB P28702 8/20 0.44
RXRG P48443 7/20 0.44
CYP3A4 P08684 4/20 0.44
RARB P10826 8/20 0.42
RARA P10276 7/20 0.42
RARG P13631 6/20 0.42
CYP26A1 O43174 4/20 0.41
CYP26B1 Q9NR63 2/20 0.41
SNCA P37840 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
SCHEMBL8102610 0.86 CYP3A4 (0.47) RXRARXRBRXRGCYP3A4RARB
SCHEMBL7876431 0.81 RXRA (0.67) RXRARXRBRXRGCYP3A4RARB
SCHEMBL8839222 0.80 RXRA (0.50) RXRARXRBRXRGCYP3A4RARB
SCHEMBL9255914 0.78 RXRA (0.48) RXRARXRBRXRGCYP3A4RARB
SCHEMBL8458134 0.78 CYP26A1 (0.65) RXRARXRBRXRGCYP3A4RARB
SCHEMBL8457432 0.77 CYP3A4 (0.42) RXRARXRBRXRGCYP3A4RARB
SCHEMBL8459677 0.76 CYP3A4 (0.42) RXRARXRBRXRGCYP3A4RARB
SCHEMBL8839101 0.76 RXRA (0.48) RXRARXRBRXRGCYP3A4RARB
SCHEMBL8839361 0.76 RXRA (0.48) RXRARXRBRXRGCYP3A4RARB
SCHEMBL7880475 0.76 CYP3A4 (0.40) RXRARXRBRXRGCYP3A4RARB

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-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed