SCHEMBL7575306

SCHEMBL7575306

COC(=O)C(N)CC(CN(C(=O)OC(C)(C)C)C(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
PSMB5 P28074 1/20 0.46
BACE1 P56817 6/20 0.44
CTSK P43235 5/20 0.43
CTRB1 P17538 2/20 0.42
CAPN1 P07384 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL7568028 0.86 SYK (0.55) SYKPSMB5BACE1CTSKCTRB1
SCHEMBL7568024 0.86 SYK (0.55) SYKPSMB5BACE1CTSKCTRB1
SCHEMBL7499769 0.84 CTSK (0.50) SYKBACE1CTSKALDH1A1CTSL
SCHEMBL7499786 0.84 CTSK (0.50) SYKBACE1CTSKALDH1A1CTSL
SCHEMBL7573918 0.82 SYK (0.52) SYKPSMB5BACE1CTSKCTRB1
SCHEMBL7495407 0.79 SYK (0.49) SYKPSMB5BACE1CTSKCTSL
SCHEMBL7495397 0.79 SYK (0.49) SYKPSMB5BACE1CTSKCTSL
SCHEMBL10905437 0.75 SYK (0.53) SYKPSMB5BACE1CTSKCTRB1
SCHEMBL10905434 0.75 SYK (0.53) SYKPSMB5BACE1CTSKCTRB1
SCHEMBL10705256 0.75 SYK (0.46) SYKBACE1SMN1; SMN2ALDH1A1

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-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed