SCHEMBL7564627

SCHEMBL7564627

CC(C)OC(=O)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
CASP3 P42574 6/20 0.42
CASP8 Q14790 5/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
TSHR P16473 1/20 0.41
GPR88 Q9GZN0 3/20 0.40
MME P08473 1/20 0.39

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
SCHEMBL1138368 0.82 KMT2A (0.42) HTTTSHR
SCHEMBL167441 0.82 KMT2A (0.42) HTTTSHR
SCHEMBL30419756 0.82 KMT2A (0.42) HTTTSHR
SCHEMBL31452421 0.82 KMT2A (0.42) HTTTSHR
SCHEMBL3674127 0.82 KMT2A (0.42) HTTTSHR
SCHEMBL8415723 0.81 HTT (0.54) HTTCASP3CASP8TSHRMME
SCHEMBL336943 0.81 KMT2A (0.53) HTT
SCHEMBL3963100 0.81 KMT2A (0.53) HTT
SCHEMBL3001125 0.81 KMT2A (0.53) HTT
SCHEMBL21069138 0.78 CTSA (0.42) HTT

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-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP disclosed
US-6228885-B1 Fungicidal compositions based on (N-phenylacetyl-N-2,6-XYLYL)methyl alaninate ISAGRO S.P.A. (IT) 2001-05-08 US disclosed