SCHEMBL28370366

SCHEMBL28370366

O=C(NCCCCCCNC(=O)OCCCO)OCCCO

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.70
TDP1 Q9NUW8 1/20 0.53
EPHX2 P34913 2/20 0.46
EPHX1 P07099 1/20 0.45

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
SCHEMBL21341289 0.94 ACHE (0.79) ACHETDP1EPHX2EPHX1
SCHEMBL8372008 0.93 ACHE (0.67) ACHETDP1
SCHEMBL30603265 0.91 ACHE (0.76) ACHETDP1EPHX2
SCHEMBL10901420 0.91 ACHE (0.81) ACHEEPHX2EPHX1
SCHEMBL10897404 0.91 ACHE (0.81) ACHEEPHX2EPHX1
SCHEMBL9693989 0.91 ACHE (0.81) ACHEEPHX2EPHX1
SCHEMBL10901511 0.91 ACHE (0.81) ACHEEPHX2EPHX1
SCHEMBL10901944 0.91 ACHE (0.81) ACHEEPHX2EPHX1
SCHEMBL14589689 0.91 ACHE (0.60) ACHETDP1EPHX2EPHX1
SCHEMBL1019101 0.89 ACHE (0.74) ACHETDP1EPHX2EPHX1

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-110894399-A Two-component polyurethane waterproof coating and preparation method thereof 山东一航新材料科技有限公司 2020-03-20 CN claimed