SCHEMBL3148792

SCHEMBL3148792

CC(=O)NC(CC(=O)c1ccccc1NC=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PYGL P06737 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL27372988 0.88 KDM4E (0.37) KDM4ECYP1A2CYP2C19KMT2AHSD17B10
SCHEMBL3156036 0.86 ACE (0.41) CYP1A2CYP2C19CTSSCTSKPYGL
SCHEMBL30852406 0.85 CYP2C19 (0.53) KDM4ECYP1A2CYP2C19KMT2AHSD17B10
SCHEMBL29922241 0.85 ALDH1A1 (0.38) KDM4EKMT2AHSD17B10PYGLMAPT
SCHEMBL27372856 0.84 PYGL (0.39) HSD17B10PYGLALDH1A1GNPAT
SCHEMBL30852354 0.83 KDM4E (0.40) KDM4ECYP1A2CYP2C19KMT2AHSD17B10
SCHEMBL16098526 0.83 GRN (0.38) KDM4EKMT2AHSD17B10MAPTALDH1A1
SCHEMBL30852301 0.82 MME (0.40) KDM4EHSD17B10PYGLALDH1A1LMNA
SCHEMBL27373092 0.82 MME (0.40) KDM4EHSD17B10PYGLALDH1A1LMNA
SCHEMBL30852390 0.81 GAA (0.39) KDM4ECYP1A2CYP2C19KMT2AHSD17B10

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-1644316-B1 2-AMINOBENZOYL DERIVATIVES NEURIM PHARMA 1991 (IL) 2010-03-10 EP disclosed