SCHEMBL4939631

SCHEMBL4939631

CC(NC(=O)C(O)c1ccc(Cl)cc1)C(=O)Nc1cc(C(C)Cc2ccccc2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.46
MMP8 P22894 10/20 0.46
MMP1 P03956 9/20 0.46
MMP9 P14780 9/20 0.46
FFAR2 O15552 1/20 0.38
PSMB5 P28074 1/20 0.36
CNR2 P34972 1/20 0.36
MME P08473 2/20 0.36
LTA4H P09960 1/20 0.35
ANPEP P15144 1/20 0.35
ECE1 P42892 1/20 0.35

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
SCHEMBL4942350 0.94 MMP2 (0.42) MMP2MMP8MMP1MMP9PSMB5
SCHEMBL4945243 0.88 PSEN1 (0.43) MMP2MMP8MMP1MMP9
SCHEMBL4939642 0.83 MMP1 (0.40) MMP2MMP8MMP1MMP9FFAR2
SCHEMBL4065583 0.81 ADORA3 (0.46) MME
SCHEMBL4939621 0.81 FFAR2 (0.38) MMP2MMP8MMP1MMP9FFAR2
SCHEMBL2956970 0.80 PSEN1 (0.40) MMP2MMP8MMP1MMP9ANPEP
SCHEMBL4958532 0.79 MMP1 (0.38) MMP2MMP8MMP1MMP9PSMB5
SCHEMBL4942356 0.78 NR3C2 (0.39) MMP2MMP8MMP1MMP9PSMB5
SCHEMBL8317260 0.78 MMP1 (0.36) MMP2MMP8MMP1MMP9FFAR2
SCHEMBL2954827 0.78 MMP1 (0.36) MMP2MMP8MMP1MMP9FFAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633350-A4 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS ELAN PHARM INC (US) 2008-11-26 EP disclosed
EP-1633350-A2 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2005009344-A2 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed