SCHEMBL27915544

SCHEMBL27915544

CCCCCCCCCCCCCCCCCCCCOC(=O)C[C@H](NC(=O)CCCCCCCCCCCC)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.62
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
EPHX2 P34913 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
FAAH O00519 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC6A5 Q9Y345 1/20 0.48
NAAA Q02083 1/20 0.47
DGKA P23743 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
SCHEMBL27915675 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL27915612 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL27915538 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL27915535 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL8015603 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL27934198 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL27934195 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL27915554 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL27915549 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A
SCHEMBL27934166 1.00 NOD1 (0.62) NOD1ITGB3ITGA2BEPHX2KMT2A

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
CN-103230343-A Emulsion composition SUZHOU ELEMENT SET CHEMICAL INDUSTRY CO LTD 2013-08-07 CN claimed
CN-103230343-A Emulsion composition SUZHOU ELEMENT SET CHEMICAL INDUSTRY CO LTD 2013-08-07 CN disclosed