SCHEMBL11740367

SCHEMBL11740367

CC(Cl)C(=O)N(C)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
MVD P53602 1/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL11735221 0.84 LMNA (0.35) TDP1MVDEYA2APPACE
SCHEMBL13981419 0.81 DPP4 (0.40) TDP1MVDEYA2APPACE
SCHEMBL10908256 0.77 GABRP (0.38) TDP1MVDEYA2APPACE
Hydrochloric Acid SCHEMBL11341606 0.76 DPP4 (0.37) TDP1MVDEYA2APPACE
SCHEMBL26115312 0.76 HPGD (0.37)
SCHEMBL30522084 0.74 DPP4 (0.56) MVD
SCHEMBL3338673 0.74 DPP4 (0.56) MVD
SCHEMBL19569730 0.72 CHRM1 (0.37) TDP1ADRA1ADRD3SLC6A3
SCHEMBL16816655 0.72 MVD (0.34) TDP1MVDEYA2APPACE
SCHEMBL31688025 0.72 DPP4 (0.42) MVD

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
US-4055663-A Halogenated acylamino acids as fungicides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-10-25 US disclosed