SCHEMBL14966552

SCHEMBL14966552

Cc1cc(C)c(CNC(=O)c2ccc(CCOc3ccccc3)cc2F)c(O)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KLKB1 P03952 5/20 0.40
MAPK1 P28482 3/20 0.39
MMP13 P45452 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 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
SCHEMBL14966442 0.92 KLKB1 (0.41) PPARGPPARAKLKB1ITGB3ITGB1
SCHEMBL14966342 0.89 RAB9A (0.43) MEN1KMT2AKLKB1ITGB3ITGB1
SCHEMBL14966659 0.85 LMNA (0.48) PPARGPPARAMEN1KMT2AKLKB1
SCHEMBL14967198 0.84 SLC6A5 (0.44) MEN1KMT2AKLKB1HTTSMN1; SMN2
SCHEMBL14967341 0.83 MEN1 (0.40) MEN1KMT2AKLKB1MAPK1HTT
SCHEMBL14966991 0.82 LMNA (0.48) MEN1KMT2AKLKB1RXFP1SMN1; SMN2
SCHEMBL14966625 0.81 SMN1; SMN2 (0.43) MEN1KMT2AKLKB1HTTSMN1; SMN2
SCHEMBL14966965 0.81 NPC1 (0.47) MEN1KMT2AKLKB1SMN1; SMN2
SCHEMBL14966647 0.81 SCN9A (0.44) PPARGPPARAMMP13SMN1; SMN2
SCHEMBL14966551 0.80 MEN1 (0.40) PPARAMEN1KMT2AKLKB1MAPK1

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
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed