SCHEMBL4639347

SCHEMBL4639347

CC(CC(=O)NN)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
NR1H4 Q96RI1 6/20 0.38
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11541458 0.89 GAA (0.41) GAAALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL28319173 0.85 GAA (0.42) GAAALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL7792915 0.82 FFAR1 (0.45) GAAALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL26324469 0.82 ALDH1A1 (0.46) GAAALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL3240738 0.78 ALDH1A1 (0.44) GAAALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL875855 0.76 ALDH1A1 (0.59) GAAALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL29178533 0.75 HSP90AA1 (0.43) GAAALDH1A1ALOX15HSD17B10NR1I2
Propionic Acid SCHEMBL30843928 0.74 GAA (0.46) GAAALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL1720541 0.74 ALDH1A1 (0.39) GAAALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL29656534 0.74 GAA (0.57) GAAALDH1A1LMNATYRHTT

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-1595918-B1 Deodorizing agent and resin composition POLYPLASTICS CO (JP) 2008-08-06 EP disclosed
EP-1595918-A1 Deodorizing agent and resin composition Polyplastics Co., Ltd. (JP) 2005-11-16 EP disclosed