SCHEMBL14425232

SCHEMBL14425232

CN(C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(O)c(=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 2/20 0.65
RXRA P19793 11/20 0.47
RXRB P28702 8/20 0.47
RARB P10826 13/20 0.46
RARG P13631 12/20 0.46
RXRG P48443 6/20 0.46
RARA P10276 11/20 0.44
CYP26A1 O43174 5/20 0.44
CYP3A4 P08684 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL5084734 0.84 CYP26B1 (0.75) CYP26B1RXRARXRBRARBRARG
SCHEMBL14425234 0.82 CYP26B1 (0.59) CYP26B1RXRARXRBRARBRARG
SCHEMBL22838105 0.79 CYP26B1 (1.00) CYP26B1RXRARXRBRARBRARG
SCHEMBL29806443 0.79 RARA (0.72) CYP26B1RXRARXRBRARBRARG
SCHEMBL1132946 0.79 RARA (0.72) CYP26B1RXRARXRBRARBRARG
SCHEMBL8459952 0.76 RXRA (0.66) CYP26B1RXRARXRBRARBRARG
SCHEMBL501852 0.76 CYP26B1 (0.57) CYP26B1RXRARARBRARGRARA
SCHEMBL501853 0.76 CYP26B1 (0.57) CYP26B1RXRARARBRARGRARA
SCHEMBL501581 0.74 RARB (0.60) RXRARXRBRARBRARGRXRG
SCHEMBL14425203 0.74 RARB (0.60) RXRARXRBRARBRARGRXRG

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-7259187-B2 Tropolone derivatives RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-08-21 US disclosed
US-7259187-B2 Tropolone derivatives RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-08-21 US disclosed