SCHEMBL27817331

SCHEMBL27817331

CC(=O)NOC(=O)[C@H](O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
LMNA P02545 5/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 2/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NR1I2 O75469 1/20 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
SCHEMBL11086718 0.84 L3MBTL1 (0.49) LMNAKMT2ACYP2D6CHRM2CHRM1
SCHEMBL27888601 0.81 LMNA (0.52) HPGDLMNAMAPK1KMT2ACES2
Mandelic Acid, Methyl Ester SCHEMBL7512539 0.79 KMT2A (0.62) HPGDLMNAMAPK1KMT2ACES2
SCHEMBL8876742 0.79 LMNA (0.54) HPGDLMNAMAPK1KMT2ACES2
Mandelic Acid, Methyl Ester SCHEMBL28228867 0.79 KMT2A (0.67) HPGDLMNAMAPK1KMT2ACES2
Mandelic Acid, Methyl Ester SCHEMBL186898 0.79 KMT2A (0.67) HPGDLMNAMAPK1KMT2ACES2
Mandelic Acid, Methyl Ester SCHEMBL186899 0.79 KMT2A (0.67) HPGDLMNAMAPK1KMT2ACES2
Mandelic Acid, Methyl Ester SCHEMBL186900 0.79 KMT2A (0.67) HPGDLMNAMAPK1KMT2ACES2
SCHEMBL28014617 0.79 LMNA (0.48) HPGDLMNAMAPK1KMT2ACES2
Mandelic Acid, Methyl Ester SCHEMBL7701656 0.77 KMT2A (0.64) HPGDLMNAMAPK1KMT2ACES2

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
CN-1826105-B Use of amphetamine composition in producing medicine for treating cognitive impairment SENTION INC 2010-09-08 CN disclosed