SCHEMBL9019344

SCHEMBL9019344

CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(C)c(-c3ccc(F)cc3)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.62
KDM4E B2RXH2 9/20 0.53
MAPT P10636 7/20 0.53
HSD17B10 Q99714 6/20 0.53
ALDH1A1 P00352 4/20 0.53
CASP1 P29466 4/20 0.53
CASP7 P55210 4/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.53
CYP3A4 P08684 5/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALOX12 P18054 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
TP53 P04637 3/20 0.50
LMNA P02545 2/20 0.49

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
SCHEMBL9019345 0.85 ADORA3 (0.58) ADORA3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL9732997 0.81 ADORA3 (0.64) ADORA3KDM4EMAPTHSD17B10ALDH1A1
Kaempferol Tetraacetate SCHEMBL10379364 0.80 ADORA3 (0.84) ADORA3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL9019328 0.77 ADORA3 (0.49) ADORA3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL1664667 0.77 ADORA3 (1.00) ADORA3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL15266926 0.77 ADORA3 (0.79) ADORA3KDM4EMAPTHSD17B10ALDH1A1
Pentaacetylquercetin SCHEMBL4064499 0.76 ADORA3 (0.77) ADORA3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL15965556 0.76 KDM4E (0.66) ADORA3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL10472254 0.75 KDM4E (0.72) ADORA3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL28377445 0.74 ADORA3 (0.77) ADORA3KDM4EMAPTHSD17B10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450588-B1 Substituted 3-thia- or 3-oxa-alkyl flavones, process for their preparation, their application and drugs based on these compounds as well as intermediates HOECHST AG (DE) 1996-02-28 EP disclosed
US-5173498-A For treating arteriosclerosis or hypercholesterolemia HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
EP-0450588-A1 Substituted 3-thia- or 3-oxa-alkyl flavones, process for their preparation, their application and drugs based on these compounds as well as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed