SCHEMBL28092074

SCHEMBL28092074

CCCCCCCCN(C=O)NC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
FAAH O00519 15/20 0.41
CES1 P23141 11/20 0.41
CES2 O00748 6/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLA2G6 O60733 1/20 0.39

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
SCHEMBL7494438 0.78 ADH1C (0.38) MEN1KMT2AHSD17B10
SCHEMBL7689401 0.76 ADH1C (0.37) EPHX1FAAHMEN1CYP1A2KMT2A
SCHEMBL6575288 0.74 EPHX1 (0.49) EPHX1FAAHCES1CES2MEN1
SCHEMBL28166981 0.73 ADH1C (0.45) EPHX1FAAH
SCHEMBL27870138 0.73 ADH1C (0.45) EPHX1FAAH
SCHEMBL8523736 0.71 ADH1C (0.41) EPHX1FAAH
SCHEMBL7439163 0.71 ADH1C (0.46) EPHX1FAAH
SCHEMBL19949895 0.70 EPHX1 (0.47) EPHX1FAAHCES1CES2MEN1
SCHEMBL7541904 0.69 EPHX1 (0.80) EPHX1FAAHCES1CES2MEN1
SCHEMBL7545639 0.69 EPHX1 (0.80) EPHX1FAAHCES1CES2MEN1

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-105873930-B Novel bicyclic compounds and their use as antibacterial agents and β -lactamase inhibitors 费多拉制药公司 2019-02-19 CN disclosed
CN-105873930-A Novel bicyclic compounds and their use as antibacterial agents and beta-lactamase inhibitors 费多拉制药公司 2016-08-17 CN disclosed