SCHEMBL18923401

SCHEMBL18923401

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.46
DNM1 Q05193 5/20 0.41
HSP90AA1 P07900 1/20 0.39
KDM5A P29375 3/20 0.39
KDM4C Q9H3R0 2/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
EPHX1 P07099 2/20 0.36

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
SCHEMBL27572644 0.86 EPHX2 (0.47) EPHX2DNM1HSP90AA1KDM5AKDM4C
SCHEMBL23139649 0.78 EPHX2 (0.54) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL11015481 0.78 EPHX2 (0.47) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL15334066 0.78 EPHX2 (0.45) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL6949703 0.77 DNM1 (0.50) EPHX2DNM1S1PR2S1PR1S1PR3
SCHEMBL16658679 0.77 DNM1 (0.50) EPHX2DNM1S1PR2S1PR1S1PR3
SCHEMBL18660081 0.77 DNM1 (0.50) EPHX2DNM1S1PR2S1PR1S1PR3
SCHEMBL2180094 0.77 DNM1 (0.50) EPHX2DNM1S1PR2S1PR1S1PR3
SCHEMBL3440790 0.77 DNM1 (0.50) EPHX2DNM1S1PR2S1PR1S1PR3
SCHEMBL16658678 0.77 DNM1 (0.50) EPHX2DNM1S1PR2S1PR1S1PR3

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-9671392-B2 Multisensor array for detection of analytes or mixtures thereof in gas or liquid phase DANMARKS TEKNISKE UNIVERSITET (DK) 2017-06-06 US disclosed