SCHEMBL4270981

SCHEMBL4270981

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.48
GSR P00390 1/20 0.47
CPB2 Q96IY4 7/20 0.47
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
NOD1 Q9Y239 1/20 0.44
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
SLC6A5 Q9Y345 1/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41

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
SCHEMBL4270994 1.00 FOLH1 (0.48) FOLH1GSRCPB2DPP8DPP9
SCHEMBL30436412 0.99 FOLH1 (0.47) FOLH1GSRCPB2DPP8DPP9
Acetic Acid SCHEMBL25216563 0.97 FOLH1 (0.46) FOLH1GSRCPB2DPP8DPP9
Acetic Acid SCHEMBL10766188 0.97 FOLH1 (0.46) FOLH1GSRCPB2DPP8DPP9
SCHEMBL30436842 0.96 FOLH1 (0.47) FOLH1GSRCPB2DPP8DPP9
SCHEMBL30435953 0.96 GSR (0.46) FOLH1GSRCPB2DPP8DPP9
SCHEMBL30436996 0.93 GSR (0.46) FOLH1GSRCPB2DPP8DPP9
SCHEMBL30436675 0.93 FOLH1 (0.47) FOLH1GSRCPB2NOD1ERAP2
Trifluoroacetic Acid SCHEMBL15264213 0.93 CPB2 (0.43) FOLH1GSRCPB2DPP8DPP9
SCHEMBL30242247 0.93 GNPAT (0.49) FOLH1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009138801-A2 COSMETIC FORMULATION NB LABS LIMITED (GB) 2009-11-19 WO disclosed