SCHEMBL28806399

SCHEMBL28806399

CCCCCC(=O)NC(CCCC)C(=O)ON

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 11/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.50
FAAH O00519 1/20 0.50
MAPK1 P28482 1/20 0.50
SLC6A5 Q9Y345 2/20 0.49
POLB P06746 1/20 0.49
PLA2G2C Q5R387 1/20 0.49
DNM1 Q05193 1/20 0.49

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
SCHEMBL27719306 0.90 SLC6A5 (0.63) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL26136751 0.88 KMT2A (0.61) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL27762301 0.86 SLC6A5 (0.55) NOD1KMT2ASLC6A5POLBDNM1
SCHEMBL1887336 0.84 NOD1 (0.60) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL38281 0.84 NOD1 (0.60) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL19499067 0.83 NOD1 (0.59) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL8576701 0.82 NOD1 (0.62) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL8733276 0.82 NOD1 (0.62) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL28698069 0.80 SLC6A5 (0.62) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL30068459 0.80 NOD1 (0.64) NOD1KMT2AMEN1FAAHMAPK1

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
CN-103403011-A Trifunctional crosslinking reagents ETH ZUERICH 2013-11-20 CN disclosed