SCHEMBL3355192

SCHEMBL3355192

CC(=O)Cl.CCc1ccccc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
CLCN2 P51788 1/20 0.40
MGLL Q99685 1/20 0.40
AKR1B1 P15121 1/20 0.39
HDAC4 P56524 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 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
Acetic Acid SCHEMBL1724578 0.86 GABRA1 (0.52) GABRA1GABRB2CLCN2AKR1B1ALDH1A1
Acetamide SCHEMBL27416699 0.84 GABRA1 (0.50) GABRA1GABRB2CLCN2MGLLAKR1B1
Bicarbonate SCHEMBL29051241 0.83 GABRA1 (0.55) GABRA1GABRB2CLCN2MGLLAKR1B1
Bicarbonate SCHEMBL14635340 0.83 GABRA1 (0.55) GABRA1GABRB2CLCN2MGLLAKR1B1
SCHEMBL24977628 0.83 GABRA1 (0.44) GABRA1GABRB2CLCN2MGLLAKR1B1
Hydrogen Peroxide SCHEMBL11205186 0.83 GABRA1 (0.60) GABRA1GABRB2CLCN2MGLLAKR1B1
Hydrogen Peroxide SCHEMBL10890655 0.83 GABRA1 (0.60) GABRA1GABRB2CLCN2MGLLAKR1B1
SCHEMBL36294 0.83 GABRA1 (0.58) GABRA1GABRB2MGLLALDH1A1GAA
SCHEMBL25425763 0.83 GABRA1 (0.58) GABRA1GABRB2MGLLALDH1A1GAA
SCHEMBL29390847 0.83 GABRA1 (0.58) GABRA1GABRB2MGLLALDH1A1GAA

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
EP-2188264-A2 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
WO-2009035150-A2 4-PHENYL-5-HYDROXY-3(2H)-PYRIDAZINONE DERIVATIVES AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed