SCHEMBL7947694

SCHEMBL7947694

C=CC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)OC)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
CYP26A1 O43174 4/20 0.44
RXRA P19793 7/20 0.44
RXRB P28702 6/20 0.44
RARB P10826 9/20 0.43
RARG P13631 9/20 0.43
RARA P10276 8/20 0.43
CYP26B1 Q9NR63 1/20 0.43
RXRG P48443 5/20 0.41
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7929446 0.88 RXRA (0.55) CYP3A4CYP26A1RXRARXRBRARB
SCHEMBL7949488 0.84 RXRA (0.43) CYP3A4CYP26A1RXRARXRBRARB
SCHEMBL7947687 0.82 CYP3A4 (0.42) CYP3A4CYP26A1RXRARXRBRARB
SCHEMBL7949336 0.76 RXRA (0.69) CYP3A4CYP26A1RXRARXRBRARB
SCHEMBL7923000 0.73 RXRA (0.49) CYP3A4CYP26A1RXRARXRBRARB
SCHEMBL2788640 0.72 CYP3A4 (0.70) CYP3A4CYP26A1RXRARXRBRARB
SCHEMBL7923059 0.72 RXRA (0.55) CYP26A1RXRARXRBRARBRARG
SCHEMBL20398885 0.72 CYP3A4 (0.57) CYP3A4CYP26A1RXRARXRBRARB
SCHEMBL9120878 0.72 CYP3A4 (0.57) CYP3A4CYP26A1RXRARXRBRARB
SCHEMBL17049073 0.72 CYP3A4 (0.54) CYP3A4CYP26A1RXRARXRBRARB

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-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed