SCHEMBL9003231

SCHEMBL9003231

CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N(CC(=O)OCC)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.41
EPHX2 P34913 2/20 0.40
NOD1 Q9Y239 7/20 0.39
PLA2G2C Q5R387 1/20 0.36
MMEL1 Q495T6 1/20 0.36
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
PLA2G10 O15496 1/20 0.34

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
SCHEMBL9002922 0.98 KMT2A (0.42) KMT2APOLBEPHX2NOD1MMEL1
SCHEMBL7394796 0.88 KMT2A (0.40) KMT2APOLBNOD1MEN1FAAH
SCHEMBL7395604 0.85 KMT2A (0.39) KMT2APOLBNOD1L3MBTL1GAA
SCHEMBL8719543 0.76 CYP1A2 (0.44)
SCHEMBL8721817 0.75 CYP1A2 (0.43)
SCHEMBL8019564 0.74 KMT2A (0.60) KMT2APOLBEPHX2NOD1PLA2G2C
SCHEMBL8019568 0.74 KMT2A (0.60) KMT2APOLBEPHX2NOD1PLA2G2C
SCHEMBL9002996 0.72 MEN1 (0.41) KMT2APOLBMMEL1MEN1L3MBTL1
SCHEMBL8019574 0.71 NOD1 (0.60) KMT2APOLBEPHX2NOD1MEN1
SCHEMBL8018791 0.70 NOD1 (0.55) KMT2AEPHX2NOD1PLA2G2CMEN1

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
US-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed