SCHEMBL22336340

SCHEMBL22336340

CCCC[n+]1ccc(C(=O)OC)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP1 P29466 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
RGS12 O14924 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
Iodide SCHEMBL22322903 0.99 MAPK1 (0.40) MAPK1ALDH1A1NPC1RAB9ACASP1
SCHEMBL22336175 0.85 MAPK1 (0.42) MAPK1ALDH1A1L3MBTL1KDM4EMEN1
Iodide SCHEMBL22322551 0.84 MAPK1 (0.41) MAPK1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL22336301 0.83 HCAR3 (0.43) MAPK1ALDH1A1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL22322538 0.82 HCAR3 (0.42) MAPK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL22322537 0.82 HSP90AA1 (0.39) MAPK1ALDH1A1L3MBTL1MEN1APAF1
SCHEMBL28333951 0.78 MEN1 (0.54) MAPK1ALDH1A1NPC1RAB9ACASP1
SCHEMBL22336373 0.78 MEN1 (0.48) MAPK1ALDH1A1MEN1APAF1RGS12
SCHEMBL22336305 0.73 ALDH1A1 (0.38) MAPK1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL22336302 0.73 ALDH1A1 (0.49) MAPK1ALDH1A1L3MBTL1KDM4EMAPT

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-2020161248-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed