SCHEMBL28428752

SCHEMBL28428752

C=CNC(=O)NCCCC

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.59
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
MMP2 P08253 2/20 0.46
MMP1 P03956 1/20 0.46
ACHE P22303 1/20 0.45
EPHX2 P34913 2/20 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
SCHEMBL320112 0.81 EPHX1 (0.85) EPHX1MMP2MMP1ACHE
SCHEMBL10867937 0.80 EPHX1 (0.61) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL11520785 0.79 EPHX1 (0.61) EPHX1ZDHHC20ZDHHC2EPHX2
SCHEMBL30786047 0.79 EPHX1 (0.90) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL24262420 0.78 ZDHHC20 (0.72) EPHX1ZDHHC20ZDHHC2MMP2MMP1
SCHEMBL28229741 0.77
SCHEMBL6935602 0.77
SCHEMBL604471 0.77
SCHEMBL20630216 0.77 ZDHHC20 (0.41) EPHX1ZDHHC20ZDHHC2MMP2MMP1
SCHEMBL8430978 0.77 EPHX1 (0.57) EPHX1MMP2MMP1ACHEEPHX2

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-111378167-A Dynamic polymer with hybrid cross-linked network 翁秋梅 2020-07-07 CN disclosed