SCHEMBL1896879

SCHEMBL1896879

CCCCCNC(=O)NC(C)C

nearest known ligand 0.96

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.96
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 1/20 0.52
FAAH O00519 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
CPT2 P23786 1/20 0.50
CPT1A P50416 1/20 0.50
CPT1B Q92523 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL25834895 0.98 EPHX1 (1.00) EPHX1SMN1; SMN2MEN1FAAHMAPK1
SCHEMBL27052608 0.98 EPHX1 (1.00) EPHX1SMN1; SMN2MEN1FAAHMAPK1
SCHEMBL9784658 0.98 EPHX1 (1.00) EPHX1SMN1; SMN2MEN1FAAHMAPK1
SCHEMBL12196042 0.98 EPHX1 (1.00) EPHX1SMN1; SMN2MEN1FAAHMAPK1
SCHEMBL13777205 0.98 EPHX1 (1.00) EPHX1SMN1; SMN2MEN1FAAHMAPK1
SCHEMBL8394872 0.94 EPHX1 (0.85) EPHX1SMN1; SMN2MEN1FAAHMAPK1
SCHEMBL20953587 0.91 EPHX1 (0.80) EPHX1SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL23560680 0.86 EPHX1 (0.72) EPHX1SMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL2625542 0.85 EPHX1 (0.70) EPHX1SMN1; SMN2MEN1FAAHMAPK1
SCHEMBL15700937 0.84 EPHX1 (0.70) EPHX1SMN1; SMN2CPT2CPT1ACPT1B

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
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 EP claimed