SCHEMBL8018121

SCHEMBL8018121

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
FAAH O00519 1/20 0.53
MAPK1 P28482 1/20 0.53
NOD1 Q9Y239 5/20 0.51
DNM1 Q05193 1/20 0.47
POLB P06746 1/20 0.47
POLA1 P09884 1/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
LPAR3 Q9UBY5 2/20 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
SCHEMBL8018119 1.00 KMT2A (0.53) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL8618539 1.00 KMT2A (0.53) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL8615495 1.00 KMT2A (0.53) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL8006070 0.88 NOD1 (0.55) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL8006072 0.88 NOD1 (0.63) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL8018791 0.88 NOD1 (0.55) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL8015398 0.88 NOD1 (0.63) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL4412217 0.88 NOD1 (0.63) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL8018784 0.88 NOD1 (0.55) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL7756967 0.88 NOD1 (0.55) KMT2AMEN1FAAHMAPK1NOD1

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