SCHEMBL4420838

SCHEMBL4420838

Cc1c(NC(=O)C(F)(F)c2ccc3c(c2)C(C)(C)CCC3(C)C)cccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
PPARG P37231 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
RARA P10276 5/20 0.41
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41
CYP26A1 O43174 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41
BLVRB P30043 1/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40

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
SCHEMBL1616063 0.78 RARB (0.54) RXRARXRBNPC1RAB9ARARA
SCHEMBL1615388 0.77 RARB (0.64) RXRARXRBRARARARBRARG
SCHEMBL1615150 0.73 RXRA (0.58) RXRARXRBRARARARBRARG
SCHEMBL1616060 0.72 RAB9A (0.48) RXRARXRBNPC1RAB9ARARA
SCHEMBL1615545 0.72 RARA (0.46) RXRARXRBNPC1RAB9ARARA
SCHEMBL4419817 0.71 CYP26A1 (0.50) RXRARXRBRARARARBRARG
SCHEMBL1615210 0.71 RARA (0.53) RXRARXRBRARARARBRARG
SCHEMBL1615798 0.70 CYP3A4 (0.51) RXRARXRBNPC1RAB9ARARA
SCHEMBL1616264 0.70 RXRA (0.51) RXRARXRBPPARGRARARARB
SCHEMBL14057916 0.69 NPC1 (0.57) PPARGNR1H4NPC1RAB9AMEN1

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
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP disclosed