SCHEMBL28306804

SCHEMBL28306804

CCCCCCCCCCCCCCCCCC(=O)NC(CC)NC(C)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.61
DNM1 Q05193 1/20 0.50
ASAH2 Q9NR71 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ASAH1 Q13510 1/20 0.48
ACER2 Q5QJU3 1/20 0.48
HSP90AA1 P07900 1/20 0.47
PLA2G10 O15496 2/20 0.47
NOD1 Q9Y239 1/20 0.46
PLA2G2C Q5R387 1/20 0.46

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
SCHEMBL117496 1.00 FAAH (0.61) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL115761 1.00 FAAH (0.61) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL114325 1.00 FAAH (0.61) FAAHMEN1KMT2AMAPK1DNM1
Hydrochloric Acid SCHEMBL787922 0.97 FAAH (0.57) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL1024105 0.90 FAAH (0.50) FAAHMEN1KMT2AMAPK1DNM1
Hydrochloric Acid SCHEMBL7207530 0.89 ASAH2 (0.56) FAAHMEN1KMT2AASAH2ALDH1A1
SCHEMBL115806 0.87 FAAH (0.56) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL118181 0.87 FAAH (0.56) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL118549 0.87 FAAH (0.56) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL22714169 0.87 MEN1 (0.47) FAAHMEN1KMT2AMAPK1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988349-B Rubber composition for tire outer layer and pneumatic tire 住友橡胶工业株式会社 2022-11-08 CN disclosed
CN-111683918-A Process for the preparation of 1, 2-dichloro-3, 3-difluoro-1-propene and solvent composition 中央硝子株式会社 2020-09-18 CN disclosed
CN-109863219-A Peeling paper is used or silicone composition for release film 信越化学工业株式会社 2019-06-07 CN disclosed