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SCHEMBL9564733

SCHEMBL9564733

COC(=O)CCc1ccc(C2=C(OC)CN(c3ccc(C(=N)NC(=O)OC(C)OC(C)=O)cc3)C2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 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
Bicarbonate SCHEMBL8988879 0.98 PTPN1 (0.33) HRH3HDAC1PTPN1ALDH1A1LMNA
SCHEMBL8988515 0.91 HRH3 (0.36) HRH3HDAC1PTPN1ALDH1A1LMNA
SCHEMBL9564728 0.88 HRH3 (0.33) HRH3HDAC1PTPN1
SCHEMBL8988712 0.88 ALDH1A1 (0.35) HRH3HDAC1PTPN1ALDH1A1LMNA
SCHEMBL9564737 0.87 HRH3 (0.34) HRH3HDAC1PTPN1ALDH1A1LMNA
SCHEMBL8988493 0.84 CYP4F2 (0.38) HRH3PTPN1LMNAL3MBTL1
SCHEMBL9564731 0.84 CASP1 (0.33) HRH3HDAC1PTPN1
Hydrochloric Acid SCHEMBL8988806 0.84 HRH3 (0.36) HRH3HDAC1PTPN1LMNAL3MBTL1
SCHEMBL8988708 0.83 MASP2 (0.32) HRH3HDAC1PTPN1
SCHEMBL8988689 0.82 ITGB3 (0.43) HRH3HDAC1PTPN1

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