SCHEMBL7052915

SCHEMBL7052915

CCCCCCCCCCCC(=O)NC(=O)[C@@H](N)CCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.49
SLC15A1 P46059 1/20 0.49
RRM1 P23921 1/20 0.45
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 2/20 0.45
FAAH O00519 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SOAT1 P35610 2/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSP90AA1 P07900 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
DNM1 Q05193 1/20 0.44
GNAI3 P08754 1/20 0.43

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
SCHEMBL6720392 0.88 PLA2G2C (0.59) NOD1SLC15A1KMT2AMEN1HSP90AA1
SCHEMBL9666516 0.88 PLA2G2C (0.59) NOD1SLC15A1KMT2AMEN1HSP90AA1
SCHEMBL9666575 0.88 PLA2G2C (0.59) NOD1SLC15A1KMT2AMEN1HSP90AA1
SCHEMBL9666548 0.88 PLA2G2C (0.59) NOD1SLC15A1KMT2AMEN1HSP90AA1
SCHEMBL2447062 0.86 FAAH (0.46) NOD1SLC15A1RRM1DPP7FAAH
SCHEMBL9664672 0.86 PLA2G2C (0.56) NOD1SLC15A1DPP4DPP8DPP9
SCHEMBL4647986 0.83 GNAI3 (0.64) NOD1SLC15A1RRM1DPP4DPP8
SCHEMBL4647979 0.83 GNAI3 (0.64) NOD1SLC15A1RRM1DPP4DPP8
SCHEMBL5491543 0.83 GNAI3 (0.64) NOD1SLC15A1RRM1DPP4DPP8
SCHEMBL2250171 0.83 NOD1 (0.55) NOD1FAAHKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56103273-A None JP disclosed
EP-1304999-A1 ANTIPERSPIRANT FORMULATIONS UNILEVER PLC (GB) 2003-05-02 EP disclosed
WO-2002011691-A1 ANTIPERSPIRANT FORMULATIONS UNILEVER PLC (GB) 2002-02-14 WO disclosed
WO-2002011692-A1 ANTIPERSPIRANT FORMULATIONS UNILEVER PLC (GB) 2002-02-14 WO disclosed
JP-S56103273-A NOVEL REGENERATIVE MATERIAL AND REGENERATING DEVICE USING IT AJINOMOTO CO INC 1981-08-18 JP disclosed