SCHEMBL7449151

SCHEMBL7449151

CC(=O)N([C@H](CC(=O)O)c1cccc(Oc2ccccc2)c1)N1C(=O)N[C@](C)(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KMT2A Q03164 3/20 0.34
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.33
PTGS1 P23219 2/20 0.32
EPOR P19235 2/20 0.32
ALOX5AP P20292 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 2/20 0.32
XBP1 P17861 1/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL7497233 0.91 KMT2A (0.42) ITGB3ITGA2BCRHBPCRHR2KMT2A
SCHEMBL8490497 0.90 ITGB3 (0.40) ITGB3ITGA2BCRHBPCRHR2KMT2A
Hydrochloric Acid SCHEMBL8481921 0.90 ITGB3 (0.39) ITGB3ITGA2BCRHBPCRHR2KMT2A
Hydrochloric Acid SCHEMBL7438834 0.90 ITGB3 (0.39) ITGB3ITGA2BCRHBPCRHR2KMT2A
Acetic Acid SCHEMBL8476499 0.90 ITGB3 (0.39) ITGB3ITGA2BCRHBPCRHR2KMT2A
Hydrochloric Acid SCHEMBL7446793 0.90 ITGB3 (0.39) ITGB3ITGA2BCRHBPCRHR2KMT2A
Hydrochloric Acid SCHEMBL8488366 0.90 ITGB3 (0.39) ITGB3ITGA2BCRHBPCRHR2KMT2A
SCHEMBL7438076 0.88 ITGB3 (0.38) ITGB3ITGA2BCRHBPCRHR2KMT2A
SCHEMBL7500179 0.86 ITGB3 (0.35) ITGB3ITGA2BCRHBPCRHR2KMT2A
SCHEMBL7983505 0.86 ITGB3 (0.52) ITGB3ITGA2BKMT2AALOX5MEN1

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
EP-0729460-B1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AG (DE) 2002-05-15 EP disclosed
WO-1995014008-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-26 WO disclosed