SCHEMBL9330262

SCHEMBL9330262

COC(=O)CC(C)=Cc1cc(N)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
GFER P55789 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOA P21397 1/20 0.33
HTR2C P28335 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9655352 1.00 GAA (0.39) GAALMNAALDH1A1MAPTMEN1
SCHEMBL9329084 0.81 GAA (0.35) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9328911 0.80 MAPT (0.50) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9656954 0.80 MAPT (0.50) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9305897 0.79 GAA (0.41) GAALMNAALDH1A1MAPTMEN1
SCHEMBL9305893 0.79 GAA (0.41) GAALMNAALDH1A1MAPTMEN1
SCHEMBL9656146 0.77 KMO (0.35) GAALMNAALDH1A1MAPTMEN1
SCHEMBL9656141 0.77 KMO (0.35) GAALMNAALDH1A1MAPTMEN1
SCHEMBL9551024 0.77 GAA (0.41) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9551025 0.77 GAA (0.41) GAAALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300387-B1 Phenyl alkenylcarboxylic acids and their esters BASF AG (DE) 1994-03-23 EP disclosed
US-5123955-A Herbicides, chloro and tetrahydrophthalimido-substituted phenyl PLATH PETER (DE) 1992-06-23 US disclosed
US-4933001-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
EP-0300387-A2 Phenyl alkenylcarboxylic acids and their esters BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed