SCHEMBL4947202

SCHEMBL4947202

CC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1cc(CC(C)c2cccc(C(F)(F)F)c2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
PSEN1 P49768 7/20 0.38
PSEN2 P49810 7/20 0.38
APH1B Q8WW43 7/20 0.38
NCSTN Q92542 7/20 0.38
APH1A Q96BI3 7/20 0.38
PSENEN Q9NZ42 7/20 0.38
CBLB Q13191 2/20 0.35
SPPL2A Q8TCT8 1/20 0.35
CES2 O00748 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4945254 0.89 PSEN1 (0.43) MMP1MMP2MMP9MMP8PSEN1
SCHEMBL4948485 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4942219 0.87 PSEN1 (0.41) MMP1MMP2MMP9MMP8PSEN1
SCHEMBL4948980 0.86 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4946203 0.85 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4943720 0.85 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4956783 0.84 PSEN1 (0.38) MMP1MMP2MMP9MMP8PSEN1
SCHEMBL4947199 0.84 MMP1 (0.44) MMP1MMP2MMP9MMP8PSEN1
SCHEMBL4963446 0.84 PSEN1 (0.38) MMP1MMP2MMP9MMP8PSEN1
SCHEMBL4943615 0.83 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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