SCHEMBL7945939

SCHEMBL7945939

[CH2]OC(=O)c1c(OC(C)=O)cc(OC(C)=O)cc1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ELANE P08246 2/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7945941 0.83 POLB (0.58) KDM4EELANEMAPTALDH1A1GLA
SCHEMBL7954357 0.79 LMNA (0.46) KDM4EELANEMAPTGAAHSD17B10
SCHEMBL7952923 0.77 KDM4E (0.68) KDM4EELANEMAPTALDH1A1HSD17B10
SCHEMBL20099114 0.76 KDM4E (0.53) KDM4EELANEMAPTALDH1A1GLA
SCHEMBL3292047 0.74 KDM4E (0.53) KDM4EELANEMAPTALDH1A1GLA
SCHEMBL9246548 0.74 POLB (0.60) KDM4EELANEMAPTALDH1A1GLA
SCHEMBL7956511 0.73 CYP3A4 (0.55) MAPTHSD17B10MAPK1LMNATP53
SCHEMBL2096627 0.73 MAPT (0.45) KDM4EELANEMAPTALDH1A1GLA
SCHEMBL2096629 0.73 MAPT (0.45) KDM4EELANEMAPTALDH1A1GLA
SCHEMBL2010436 0.72 LMNA (0.59) KDM4EELANEMAPTALDH1A1GLA

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
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed