SCHEMBL29219987

SCHEMBL29219987

CCOC(=O)CC(N)c1ccc(OC)c(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
CTSA P10619 10/20 0.43
ABL1 P00519 6/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.41
PTGS2 P35354 1/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
BLK P51451 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
SCHEMBL30541285 1.00 FFAR4 (0.43) FFAR4CTSAABL1POLBKCNH2
SCHEMBL29219966 0.89 CTSA (0.49) CTSA
SCHEMBL30541252 0.89 CTSA (0.49) CTSA
SCHEMBL20545217 0.87 CTSA (0.50) FFAR4CTSAABL1KCNH2
SCHEMBL20545218 0.87 CTSA (0.50) FFAR4CTSAABL1KCNH2
SCHEMBL29219754 0.84 CTSA (0.42) FFAR4CTSA
SCHEMBL30541459 0.84 CTSA (0.42) FFAR4CTSA
SCHEMBL28368181 0.84 CTSA (0.42) FFAR4CTSA
SCHEMBL30541542 0.84 CTSA (0.43) CTSA
SCHEMBL28372548 0.84 CTSA (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed