SCHEMBL8988712

SCHEMBL8988712

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
FAAH O00519 1/20 0.31
HDAC1 Q13547 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
PTPN1 P18031 1/20 0.30
PTGER4 P35408 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL8988515 0.93 HRH3 (0.36) ALDH1A1LMNATDP1L3MBTL1HRH3
SCHEMBL8988493 0.90 CYP4F2 (0.38) LMNAL3MBTL1CYP4F2CYP4A11HRH3
Hydrochloric Acid SCHEMBL8988681 0.89 ITGB3 (0.40) ALDH1A1LMNATDP1L3MBTL1CYP4F2
SCHEMBL9564733 0.88 HRH3 (0.32) ALDH1A1LMNATDP1L3MBTL1HRH3
SCHEMBL9564737 0.87 HRH3 (0.34) ALDH1A1LMNATDP1L3MBTL1CYP4F2
Bicarbonate SCHEMBL8988879 0.86 PTPN1 (0.33) ALDH1A1LMNATDP1L3MBTL1HRH3
SCHEMBL9564731 0.86 CASP1 (0.33) HRH3HDAC1PTPN1
SCHEMBL9564728 0.85 HRH3 (0.33) HRH3HDAC1PTPN1
SCHEMBL8988601 0.84 ALDH1A1 (0.30) ALDH1A1LMNATDP1L3MBTL1FAAH
Hydrochloric Acid SCHEMBL8988806 0.84 HRH3 (0.36) LMNAL3MBTL1HRH3HDAC1PTPN1

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-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed
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