SCHEMBL27348043

SCHEMBL27348043

COC(=O)CC(=O)Cc1ccc(CN)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.55
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
TPSAB1 Q15661 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HTT P42858 1/20 0.41
KLKB1 P03952 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ABAT P80404 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CFD P00746 1/20 0.39

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
SCHEMBL4066292 0.86 CYP4F2 (0.63) LOXL2CYP4F2CYP4A11ALDH1A1GAA
Hydrochloric Acid SCHEMBL926826 0.85 CYP4F2 (0.61) LOXL2CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL6795893 0.83 TDP1 (0.50) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
Ethyne SCHEMBL28024446 0.83 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11ALDH1A1GAA
Acetone SCHEMBL28148704 0.83 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL10140460 0.83 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL5802908 0.83 CA2 (0.50) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL5431221 0.81 HTT (0.62) ALDH1A1GAAHTTKDM4ESMN1; SMN2
SCHEMBL6025472 0.81 ALDH1A1 (0.56) CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL10829361 0.81 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1GAAGFER

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-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 CN disclosed