SCHEMBL9564737

SCHEMBL9564737

CCOC(=O)NC(=N)c1ccc(N2CC(OC)=C(c3ccc(CCC(=O)OC)cc3)C2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
PTPN1 P18031 2/20 0.33
HDAC1 Q13547 1/20 0.33
KLKB1 P03952 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CASP3 P42574 4/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
MASP2 O00187 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
SYK P43405 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8988708 0.96 MASP2 (0.32) HRH3PTPN1HDAC1KLKB1CYP4F2
SCHEMBL8988493 0.94 CYP4F2 (0.38) HRH3PTPN1CYP4F2CYP4A11CASP3
SCHEMBL8988515 0.94 HRH3 (0.36) HRH3PTPN1HDAC1ITGB3ITGA2B
SCHEMBL9564728 0.91 HRH3 (0.33) HRH3PTPN1HDAC1
SCHEMBL9564731 0.90 CASP1 (0.33) HRH3PTPN1HDAC1
SCHEMBL8988692 0.87 CASP1 (0.32) HRH3PTPN1HDAC1
SCHEMBL8988712 0.87 ALDH1A1 (0.35) HRH3PTPN1HDAC1CYP4F2CYP4A11
SCHEMBL9564733 0.87 HRH3 (0.32) HRH3PTPN1HDAC1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL8988806 0.87 HRH3 (0.36) HRH3PTPN1HDAC1ITGB3ITGA2B
Bicarbonate SCHEMBL8988879 0.85 PTPN1 (0.33) HRH3PTPN1HDAC1LMNAL3MBTL1

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
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed