SCHEMBL18035902

SCHEMBL18035902

Cc1cc(C)c(C)c(CC(N)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.50
KDM4E B2RXH2 3/20 0.50
PKM P14618 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 2/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
THRB P10828 2/20 0.50
RGS12 O14924 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
CASP1 P29466 1/20 0.50
BRCA1 P38398 1/20 0.50
THPO P40225 1/20 0.50
CASP7 P55210 1/20 0.50
GNAI1 P63096 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL9292131 0.81 USP2 (0.45) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL287393 0.80 SLC7A5 (0.50) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL287394 0.80 SLC7A5 (0.50) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL5875624 0.80 SLC7A5 (0.50) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL9291690 0.80 THRB (0.44) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL9291686 0.80 THRB (0.44) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL5288482 0.79 USP2 (0.50) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL15345630 0.79 USP2 (0.50) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL29351668 0.79 USP2 (0.50) USP2KDM4EPKML3MBTL1ALOX15
SCHEMBL668470 0.79 USP2 (0.50) USP2KDM4EPKML3MBTL1ALOX15

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-3061753-A1 ENANTIO-SELECTIVE SYNTHESIS OF NON-NATURAL AMINO ACIDS Universita' Degli Studi "G. d'Annunzio" Chieti-Pescara (IT) 2016-08-31 EP disclosed