SCHEMBL5313103

SCHEMBL5313103

CCCCCCCC(=O)N[C@@H](CCCC(N)C(=O)CCCCCCC)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 16/20 0.64
MEN1 O00255 1/20 0.51
FAAH O00519 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
TLR2 O60603 1/20 0.48
SLC6A5 Q9Y345 1/20 0.47
DNM1 Q05193 1/20 0.47

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
SCHEMBL5199992 1.00 NOD1 (0.64) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL5318366 0.99 NOD1 (0.61) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL31084689 0.87 NOD1 (0.64) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL28493828 0.87 NOD1 (0.64) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL827620 0.87 NOD1 (0.64) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL30068459 0.87 NOD1 (0.64) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL7520670 0.87 NOD1 (0.64) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL30842646 0.87 NOD1 (0.64) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL31092066 0.87 NOD1 (0.64) NOD1MEN1FAAHMAPK1KMT2A
SCHEMBL4626879 0.83 NOD1 (0.85) NOD1SLC6A5

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
WO-2007058735-A1 ANTIPERSPIRANT/DEODORANT COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-24 WO 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