SCHEMBL28237222

SCHEMBL28237222

CCCCNC(=O)OC#CCI.O=C(O)C#CCI

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.42
EPHX1 P07099 1/20 0.39
MGLL Q99685 1/20 0.38
BCHE P06276 1/20 0.35

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
SCHEMBL155558 0.91 ACHE (0.50) ACHEEPHX1MGLLBCHE
Acetic Acid SCHEMBL27577998 0.90 ACHE (0.46) ACHEEPHX1MGLLBCHE
Carbamic Acid SCHEMBL28326378 0.88 ACHE (0.45) ACHEEPHX1MGLLBCHE
Formaldehyde SCHEMBL19181447 0.88 ACHE (0.47) ACHEEPHX1MGLLBCHE
Ethylene Glycol SCHEMBL4172824 0.87 ACHE (0.50) ACHEEPHX1MGLLBCHE
Dodecanoate SCHEMBL7708134 0.83 EPHX2 (0.51)
SCHEMBL28857977 0.81 BCHE (0.37) ACHEEPHX1MGLLBCHE
SCHEMBL29445404 0.79 ACHE (0.37) ACHEEPHX1MGLL
SCHEMBL30253440 0.78 ACHE (0.36) ACHEEPHX1MGLL
Phenoxyethanol SCHEMBL16538205 0.76 RECQL (0.48) ACHE

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-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed