SCHEMBL7366782

SCHEMBL7366782

CC(C)C(O)(O)NC(=O)CCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1298598 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6209372 0.73 PIK3CD (0.35) PIK3CDALDH1A1
SCHEMBL8160692 0.72 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8229956 0.70 MEN1 (0.52) DPP4DPP8DPP9ALDH1A1
Succinamide SCHEMBL28754551 0.69 ALOX15 (0.43) DPP4DPP8DPP9ALDH1A1
SCHEMBL19552784 0.68 HRH3 (0.43)
SCHEMBL7280161 0.68 ALDH1A1 (0.39) DPP4DPP8DPP9ALDH1A1
SCHEMBL24024003 0.67 DPP4 (0.37) DPP4DPP8DPP9ALDH1A1
SCHEMBL743998 0.67 CYP2D6 (0.48) ALDH1A1
SCHEMBL8369998 0.67 ALDH1A1 (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763621-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-09 US claimed
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed
EP-0777646-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-06-11 EP disclosed