SCHEMBL9645709

SCHEMBL9645709

C=C(C(N)=O)c1cccc(CC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.43
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
FOLH1 Q04609 7/20 0.42
EPHX1 P07099 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.40
MAP1LC3A Q9H492 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL6844044 0.83 FOLH1 (0.55) SLC7A5ANPEPENPEPFOLH1EPHX1
SCHEMBL22642104 0.83 SLC7A5 (0.41) SLC7A5ANPEPENPEPFOLH1EPHX1
SCHEMBL20718624 0.82 SMYD3 (0.47) SLC7A5FOLH1LOXL2
SCHEMBL9472086 0.80 EPHX1 (0.54) EPHX1
SCHEMBL27712699 0.80 LOXL2 (0.58) FOLH1LOXL2NOS3NOS1NOS2
SCHEMBL765921 0.78 FOLH1 (0.61) ANPEPENPEPFOLH1
SCHEMBL8098358 0.78 FOLH1 (0.47) SLC7A5ANPEPENPEPFOLH1MAP1LC3B
SCHEMBL4054915 0.78 SLC7A5 (0.49) SLC7A5ANPEPENPEPFOLH1EPHX1
SCHEMBL29478099 0.78 SLC7A5 (0.49) SLC7A5ANPEPENPEPFOLH1EPHX1
SCHEMBL9615921 0.77 FURIN (0.48)

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-5166434-A Process for the preparation of aromatic-substituted unsaturated amides ETHYL CORPORATION (US) 1992-11-24 US disclosed