SCHEMBL8988752

SCHEMBL8988752

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CASP1 P29466 2/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
FAAH O00519 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL8988635 0.99 ITGB3 (0.34) ITGB3ITGA2BCASP1CSNK2A2CSNK2A1
SCHEMBL9564731 0.94 CASP1 (0.33) CASP1CSNK2A2CSNK2A1
SCHEMBL8988692 0.91 CASP1 (0.32) CASP1
SCHEMBL8988621 0.88 CASP1 (0.32) CASP1
SCHEMBL8988616 0.88 CASP1 (0.35) CASP1MAPT
SCHEMBL8988601 0.86 ALDH1A1 (0.30) FAAHALDH1A1
SCHEMBL9564740 0.85 FKBP1A (0.36) CASP1ALDH1A1POLBMAPT
SCHEMBL8988515 0.84 HRH3 (0.36) ITGB3ITGA2BALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL8988917 0.84 ITGB3 (0.40) ITGB3ITGA2BPPARDPPARAMAPT
SCHEMBL9564737 0.83 HRH3 (0.34) ITGB3ITGA2BALDH1A1MAPT

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