SCHEMBL8768703

SCHEMBL8768703

C#Cc1cccc(N(C)CC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.39
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ACACB O00763 1/20 0.34
EGFR P00533 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
USP30 Q70CQ3 2/20 0.32
PIK3CA P42336 1/20 0.32
NR4A2 P43354 1/20 0.32
FFAR1 O14842 1/20 0.32
GRM5 P41594 1/20 0.32
FGFR4 P22455 1/20 0.32
PIN1 Q13526 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
SCHEMBL9402171 0.82 CNR1 (0.34) HCRTR1HCRTR2ACACBTDP1FFAR1
SCHEMBL8769158 0.76 PTGER2 (0.43) PTGER2EGFRTDP1PIK3CANR4A2
Acetic Acid SCHEMBL28168133 0.73 KDM4E (0.38) TDP1FFAR1GRM5
SCHEMBL14471367 0.72 FGFR4 (0.36) ACACBUSP30GRM5FGFR4
SCHEMBL9550200 0.70 CNR1 (0.54)
SCHEMBL20322983 0.69 POLB (0.48)
SCHEMBL6602116 0.69 NCF1 (0.56) TDP1
SCHEMBL25271903 0.69 MAOB (0.44) EGFRFFAR1GRM5
Hydrochloric Acid SCHEMBL28984088 0.68 POLB (0.47)
SCHEMBL21611539 0.68 GRM5 (0.33) GRM5

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-0579908-B1 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1997-09-10 EP claimed