SCHEMBL7760362

SCHEMBL7760362

CNC(=O)COP(=O)(OCC(=O)NC)SCC(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
TPI1 P60174 1/20 0.35
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A3 Q01959 2/20 0.32
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL5804165 0.85 ALDH1A1 (0.50) ALDH1A1MAPTTPI1TSHRKDM4E
Omethoate SCHEMBL6742845 0.80 ALDH1A1 (0.63) ALDH1A1MAPTTSHRLMNASLC6A3
Omethoate SCHEMBL63063 0.80 ALDH1A1 (0.63) ALDH1A1MAPTTSHRLMNASLC6A3
SCHEMBL10893791 0.73 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ELMNASLC6A3
SCHEMBL14878232 0.73 TPI1 (0.64) ALDH1A1MAPTTPI1LMNABCHE
SCHEMBL11853275 0.71 ALDH1A1 (0.61) ALDH1A1MAPTLMNASLC6A3KMT2A
SCHEMBL984628 0.69 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNASLC6A3
SCHEMBL3114305 0.68 ALDH1A1 (0.58) ALDH1A1MAPTLMNASLC6A3
SCHEMBL8959108 0.68 ALDH1A1 (0.68) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL7760365 0.67 ALDH1A1 (0.42) ALDH1A1MAPTTPI1LMNABCHE

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
WO-2001065940-A1 INSECTICIDE COMPOSITIONS COMPRISING AN ORGANOPHOSPHORUS INSECTICIDE COMPOUND AND AN INSECTICIDE COMPOUND WITH PYRAZOLE GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-09-13 WO disclosed