SCHEMBL1614829

SCHEMBL1614829

CN(C(=O)C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.53
RXRB P28702 15/20 0.53
RXRG P48443 14/20 0.53
CYP26B1 Q9NR63 2/20 0.52
RARB P10826 6/20 0.51
RARG P13631 6/20 0.51
RARA P10276 4/20 0.48
CYP26A1 O43174 3/20 0.48
CYP3A4 P08684 1/20 0.44
CRABP2 P29373 1/20 0.44

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
SCHEMBL8459952 0.80 RXRA (0.66) RXRARXRBRXRGCYP26B1RARB
SCHEMBL5865567 0.76 RXRA (0.49) RXRARXRBRXRGCYP26B1RARB
SCHEMBL24750771 0.76 RXRA (0.49) RXRARXRBRXRGCYP26B1RARB
SCHEMBL5084734 0.74 CYP26B1 (0.75) RXRARXRBRXRGCYP26B1RARB
SCHEMBL13027020 0.72 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL5179870 0.71 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL8674739 0.71 RXRA (0.65) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8733241 0.71 RARB (0.83) RXRARXRBRXRGCYP26B1RARB
SCHEMBL23449193 0.71 RXRA (0.48) RXRARXRBRXRGCYP26B1RARB
SCHEMBL9446455 0.71 RXRA (0.52) RXRARXRBRXRGCYP26B1RARB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923579-B2 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2011-04-12 US disclosed
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP disclosed