SCHEMBL7752876

SCHEMBL7752876

CCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)OC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.55
EPHX2 P34913 2/20 0.54
KMT2A Q03164 2/20 0.53
FAAH O00519 2/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
PLA2G2C Q5R387 1/20 0.51
PLA2G10 O15496 2/20 0.48
DNM1 Q05193 1/20 0.47
LPAR3 Q9UBY5 2/20 0.45
SLC6A5 Q9Y345 1/20 0.45
HSP90AA1 P07900 1/20 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
SCHEMBL7756180 1.00 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL8006070 0.91 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL8015393 0.91 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL7756973 0.91 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL8018791 0.91 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL8018784 0.91 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL8015397 0.91 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL8006067 0.91 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL7756967 0.91 NOD1 (0.55) NOD1EPHX2KMT2AFAAHMEN1
SCHEMBL8019564 0.89 KMT2A (0.60) NOD1EPHX2KMT2AFAAHMEN1

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-1080067-A1 BIODEGRADABLE CORROSION INHIBITORS THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 2001-03-07 EP disclosed
WO-1999059958-A1 BIODEGRADABLE CORROSION INHIBITORS THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1999-11-25 WO disclosed