SCHEMBL6235686

SCHEMBL6235686

CCC(CCC(=O)OO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.41
TNF P01375 6/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41

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
SCHEMBL1757645 0.87 ALDH1A1 (0.46) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL309712 0.81 POLM (0.43) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL9503721 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL2992788 0.78 POLB (0.73) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL1757074 0.78 ALDH1A1 (0.56) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL6364898 0.78 TDP1 (0.52) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL931966 0.77 TDP1 (0.48) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL15537671 0.76 TNF (0.46) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL14479254 0.75 TDP1 (0.44) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL7054656 0.75 TDP1 (0.46) ALDH1A1KDM4ETP53GLAPOLB

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
EP-1523474-A1 CRYSTALLINE FORMS OF IMIDOALKANPERCARBOXYLIC ACIDS Solvay Solexis S.p.A. (IT) 2005-04-20 EP disclosed
WO-2004007452-A1 CRYSTALLINE FORMS OF IMIDOALKANPERCARBOXYLIC ACIDS SOLVAY SOLEXIS S.P.A. (IT) 2004-01-22 WO disclosed