SCHEMBL30327641

SCHEMBL30327641

CCCCCNC(=O)C#N

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.58
NAAA Q02083 1/20 0.53
CASP2 P42575 1/20 0.52
ZDHHC20 Q5W0Z9 2/20 0.48
ZDHHC2 Q9UIJ5 2/20 0.48
DPP7 Q9UHL4 1/20 0.46
MGLL Q99685 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.44
FAAH O00519 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
SCHEMBL15774273 0.93
SCHEMBL15774280 0.86
SCHEMBL27364304 0.80 EPHX1 (0.56) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL5529052 0.79 EPHX1 (0.60) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL7550275 0.78 EPHX1 (0.48) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL1198895 0.77 EPHX1 (0.58) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL5525420 0.77 EPHX1 (0.64) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL6317039 0.77 MCL1 (0.74) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL28206828 0.76 EPHX1 (0.45) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950762 0.76 EPHX1 (0.61) EPHX1NAAACASP2ZDHHC20ZDHHC2

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
CN-116096397-A Therapeutic use of glucagon derivatives or conjugates thereof for liver diseases 韩美药品株式会社 2023-05-09 CN disclosed