SCHEMBL10426596

SCHEMBL10426596

CC(=O)Oc1cc(OC(C)=O)c2c3c([nH]c(=O)c2c1)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
HSD17B10 Q99714 5/20 0.42
GLA P06280 4/20 0.42
GAA P10253 4/20 0.42
CASP1 P29466 4/20 0.42
CASP7 P55210 4/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
PGR P06401 3/20 0.42
ESR1 P03372 2/20 0.41
PARP1 P09874 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 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
SCHEMBL10425399 0.74 CNR1 (0.46) GBA1KDM4EMAPTHSD17B10GLA
SCHEMBL10426487 0.72 KDM4E (0.50) KDM4EMAPTHSD17B10GLAGAA
SCHEMBL10425402 0.68 ADORA3 (0.47) KDM4EMAPTHSD17B10GLAGAA
SCHEMBL10425619 0.67 PARP1 (0.49) KDM4EMAPTHSD17B10GLAGAA
SCHEMBL10425406 0.66 CNR1 (0.74) GBA1KDM4EMAPTHSD17B10GLA
SCHEMBL28113320 0.66 GBA1 (0.46) GBA1KDM4EMAPTHSD17B10GLA
SCHEMBL12325885 0.66 KDM4E (0.59) GBA1KDM4EMAPTHSD17B10GLA
SCHEMBL28112757 0.66 KDM4E (0.49) GBA1KDM4EMAPTHSD17B10GAA
SCHEMBL10425401 0.65 CNR1 (0.60) GBA1KDM4EMAPTHSD17B10GLA
SCHEMBL10425400 0.64 BACE1 (0.50) KDM4EMAPTHSD17B10GLACASP1

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
US-4897391-A Tricyclic anti-allergy, antiinflammatory and anti-hyperproliferative compounds SCHERING CORPORATION (US) 1990-01-30 US disclosed