SCHEMBL28337062

SCHEMBL28337062

CCCCCCCCCCCCCCCCCCNCCCNOC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
FAAH O00519 1/20 0.46
S1PR2 O95136 5/20 0.46
S1PR4 O95977 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR5 Q9H228 1/20 0.46
EPHX1 P07099 7/20 0.44
PAOX Q6QHF9 1/20 0.44
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
CASP2 P42575 1/20 0.40
CNR2 P34972 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL11152873 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL19970455 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL20959807 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL18843429 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL11318606 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL23528236 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL11329413 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL20503263 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL29441797 0.92 FAAH (0.52) ALDH1A1FAAHEPHX1ADH1BADH1C
SCHEMBL29129919 0.90 FAAH (0.50) ALDH1A1FAAHEPHX1ADH1BADH1C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
CN-110612295-A Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2019-12-24 CN disclosed