SCHEMBL7305308

SCHEMBL7305308

CCS(=O)(=O)N1CCCC1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
ACE P12821 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.42
REN P00797 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 1/20 0.42
F2 P00734 1/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 1/20 0.42
PEPD P12955 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL9103345 0.87 FKBP1A (0.47) POLBALDH1A1HTTMMP8MMP12
SCHEMBL9103351 0.87 FKBP1A (0.47) POLBALDH1A1HTTMMP8MMP12
SCHEMBL26212073 0.84 FKBP1A (0.51) POLBALDH1A1HTTMMP8MMP12
SCHEMBL3256303 0.83 FKBP1A (0.56) POLBALDH1A1HTTMMP8MMP12
SCHEMBL3256301 0.83 FKBP1A (0.56) POLBALDH1A1HTTMMP8MMP12
SCHEMBL19902090 0.83 SMN1; SMN2 (0.39) POLBALDH1A1MMP8MMP12MMP13
SCHEMBL8427907 0.83 SMN1; SMN2 (0.39) POLBALDH1A1MMP8MMP12MMP13
SCHEMBL6830972 0.82 FKBP1A (0.58) POLBMMP8MMP12MMP13
SCHEMBL6830973 0.82 FKBP1A (0.58) POLBMMP8MMP12MMP13
SCHEMBL10552252 0.80 MMP8 (0.45) POLBMMP8MMP12MMP13ACE

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-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed