SCHEMBL8006072

SCHEMBL8006072

CCCCCCCCCCCCC(=O)N[C@@H](CC(=O)OC)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.63
EPHX2 P34913 2/20 0.54
FAAH O00519 4/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC6A5 Q9Y345 1/20 0.51
PLA2G2C Q5R387 1/20 0.48
DNM1 Q05193 1/20 0.47
POLB P06746 1/20 0.47
POLA1 P09884 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 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
SCHEMBL7756978 1.00 NOD1 (0.63) NOD1EPHX2FAAHMEN1MAPK1
SCHEMBL4412217 1.00 NOD1 (0.63) NOD1EPHX2FAAHMEN1MAPK1
SCHEMBL8015398 1.00 NOD1 (0.63) NOD1EPHX2FAAHMEN1MAPK1
SCHEMBL8018793 1.00 NOD1 (0.63) NOD1EPHX2FAAHMEN1MAPK1
SCHEMBL8019574 0.88 NOD1 (0.60) NOD1EPHX2FAAHMEN1MAPK1
SCHEMBL8618539 0.88 KMT2A (0.53) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL8018119 0.88 KMT2A (0.53) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL8018121 0.88 KMT2A (0.53) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL8615495 0.88 KMT2A (0.53) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL28568015 0.87 NOD1 (0.59) NOD1EPHX2FAAHMEN1MAPK1

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
US-6010708-A TOTAL NUMBER OF CARBONS IN ACYL GROUP IS 13, 15, 17 KASHIMA OIL COMPANY (JP) 2000-01-04 US disclosed
EP-0839515-A2 Cosmetics comprising an n-acylamino acid ester KASHIMA OIL COMPANY (JP) 1998-05-06 EP disclosed