SCHEMBL28824508

SCHEMBL28824508

COc1ccc(C(=O)NCCC(=O)O)nc1-c1cc(F)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 20/20 0.61

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
SCHEMBL28044164 0.91 CTSA (0.61) CTSA
SCHEMBL28949424 0.83 CTSA (0.63) CTSA
SCHEMBL28044246 0.80 CTSA (0.61) CTSA
SCHEMBL28824530 0.77 CTSA (0.64) CTSA
SCHEMBL12498194 0.76 CTSA (1.00) CTSA
SCHEMBL12498197 0.76 CTSA (1.00) CTSA
SCHEMBL12498173 0.76 CTSA (1.00) CTSA
SCHEMBL12498170 0.76 CTSA (1.00) CTSA
SCHEMBL28044257 0.76 CTSA (0.63) CTSA
SCHEMBL12498941 0.75 CTSA (1.00) CTSA

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
CN-103442712-B Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SAI NUOFEI (FR) 2016-01-20 CN claimed
CN-103442712-B Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SAI NUOFEI (FR) 2016-01-20 CN disclosed