SCHEMBL9185444

SCHEMBL9185444

CCCCCCCCN[C@@H](CCCNC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.55
TLR2 O60603 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
EPHX1 P07099 5/20 0.44
C3AR1 Q16581 1/20 0.44
RRM1 P23921 1/20 0.44
DPP7 Q9UHL4 2/20 0.44
FOLH1 Q04609 2/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL9185434 1.00 NOD1 (0.55) NOD1TLR2FNTAFNTBSIRT6
SCHEMBL9069283 0.89 C3AR1 (0.47) NOD1TLR2FNTAFNTBC3AR1
SCHEMBL8664762 0.88 NOD1 (0.53) NOD1TLR2FNTAFNTBSIRT6
SCHEMBL7028702 0.88 NOD1 (0.53) NOD1TLR2FNTAFNTBSIRT6
SCHEMBL7029218 0.88 NOD1 (0.53) NOD1TLR2FNTAFNTBSIRT6
SCHEMBL25334014 0.88 NOD1 (0.53) NOD1TLR2FNTAFNTBSIRT6
SCHEMBL7029222 0.88 NOD1 (0.53) NOD1TLR2FNTAFNTBSIRT6
SCHEMBL7028708 0.88 NOD1 (0.53) NOD1TLR2FNTAFNTBSIRT6
SCHEMBL8664765 0.88 NOD1 (0.53) NOD1TLR2FNTAFNTBSIRT6
SCHEMBL31078268 0.88 NOD1 (0.53) NOD1TLR2FNTAFNTBSIRT6

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-0666729-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 1995-08-16 EP disclosed
WO-1994009750-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 1994-05-11 WO disclosed