SCHEMBL6938815

SCHEMBL6938815

CCCCCCCCCCCCCCCCCC(CCCCNC(=N)N)NC(=O)CCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 2/20 0.57
DNM1 Q05193 1/20 0.54
PLA2G10 O15496 2/20 0.52
FAAH O00519 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
NOD1 Q9Y239 2/20 0.46
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
CASP2 P42575 1/20 0.45
RRM1 P23921 1/20 0.44
LPAR3 Q9UBY5 2/20 0.44
DPP7 Q9UHL4 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
EPHX1 P07099 2/20 0.44

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
SCHEMBL6939793 0.86 SIRT6 (0.53) PLA2G2CGNAI3GNAO1GNAI1RRM1
SCHEMBL6138985 0.86 SIRT6 (0.53) PLA2G2CGNAI3GNAO1GNAI1RRM1
SCHEMBL6940719 0.86 SIRT6 (0.53) PLA2G2CGNAI3GNAO1GNAI1RRM1
SCHEMBL20542686 0.85 TLR2 (0.59) NOD1LPAR3
SCHEMBL20542989 0.85 TLR2 (0.59) NOD1LPAR3
SCHEMBL20542946 0.85 TLR2 (0.59) NOD1LPAR3
SCHEMBL20542991 0.85 TLR2 (0.59) NOD1LPAR3
SCHEMBL20543078 0.85 TLR2 (0.59) NOD1LPAR3
SCHEMBL20542684 0.85 TLR2 (0.59) NOD1LPAR3
SCHEMBL20542950 0.85 TLR2 (0.59) NOD1LPAR3

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
EP-1285579-A1 Bactericidal guanidine derivatives, dermally applicable composition, washing composition, and antibacterial fibre aggregate Ajinomoto Co., Inc. (JP) 2003-02-26 EP disclosed