SCHEMBL10523729

SCHEMBL10523729

CCCCCCCOc1ccc(C(C#N)CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP13 P45452 1/20 0.63
LMNA P02545 1/20 0.56
POLB P06746 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
PLA2G4B P0C869 5/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RARB P10826 3/20 0.50
FFAR1 O14842 2/20 0.50

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
SCHEMBL21121064 0.86 FFAR1 (0.68) MMP9MMP8MMP13FFAR1
SCHEMBL21121216 0.86 FFAR1 (0.68) MMP9MMP8MMP13FFAR1
SCHEMBL21121217 0.86 FFAR1 (0.68) MMP9MMP8MMP13FFAR1
SCHEMBL21121062 0.86 FFAR1 (0.68) MMP9MMP8MMP13FFAR1
SCHEMBL22800012 0.86 FFAR1 (0.68) MMP9MMP8MMP13FFAR1
SCHEMBL22800018 0.86 FFAR1 (0.68) MMP9MMP8MMP13FFAR1
SCHEMBL21121428 0.84 FFAR1 (0.70) MMP9MMP8MMP13FFAR1
SCHEMBL21121431 0.84 FFAR1 (0.70) MMP9MMP8MMP13FFAR1
SCHEMBL22799988 0.84 FFAR1 (0.70) MMP9MMP8MMP13FFAR1
SCHEMBL9474072 0.82 MMP9 (0.70) MMP9MMP8MMP13LMNAPOLB

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
JP-1113355-A None JP disclosed
JP-H01113355-A ALPHA-CYANOHYDROCINNAMIC ACID ESTER DERIVATIVE CHISSO CORP 1989-05-02 JP disclosed