SCHEMBL7945941

SCHEMBL7945941

COC(=O)c1c(OC(C)=O)cc(OC(C)=O)cc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
KDM4E B2RXH2 5/20 0.47
ELANE P08246 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
TNFSF11 O14788 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 2/20 0.42
BACE1 P56817 1/20 0.42
LMNA P02545 3/20 0.42
ALOX5 P09917 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL9246548 0.90 POLB (0.60) POLBKDM4EELANEMAPTALDH1A1
SCHEMBL6290006 0.85 POLB (0.63) POLBKDM4EELANEMAPTALDH1A1
SCHEMBL7945939 0.83 KDM4E (0.46) POLBKDM4EELANEMAPTALDH1A1
SCHEMBL28602356 0.81 CYP3A4 (0.61) POLBGAATNFSF11MAPK1BACE1
SCHEMBL28659652 0.81 POLB (0.58) POLBKDM4EMAPTALDH1A1HSD17B10
SCHEMBL28611062 0.80 POLB (0.43) POLBKDM4EMAPTTNFSF11MAPK1
SCHEMBL6292873 0.79 POLB (0.53) POLBMAPTTNFSF11TSHRKMT2A
SCHEMBL6292857 0.79 POLB (0.53) POLBKDM4EELANEALDH1A1HSD17B10
SCHEMBL7003913 0.78 POLB (0.56) POLBKDM4EALDH1A1HSD17B10TSHR
SCHEMBL7952926 0.77 KDM4E (0.70) POLBKDM4EELANEMAPTALDH1A1

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