SCHEMBL10414941

SCHEMBL10414941

Clc1[c]c(Cl)cc(COc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOB P27338 6/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.43
LCK P06239 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL15761339 0.81 APP (0.61) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL2303318 0.78 APP (0.50) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL11128958 0.78 APP (0.50) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL12533565 0.75 APP (0.55) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL20945390 0.74 MAOB (0.54) APPLMNACYP1A2PTGS1SLC6A2
Benzylphenylether SCHEMBL61660 0.74 LMNA (0.74) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL850999 0.74 APP (0.78) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL5441069 0.74 MAOB (0.66) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL15761346 0.74 LMNA (0.61) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL4796227 0.73 NPC1 (0.60) APPCYP2C19MAOBMAPTMAOA

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
US-4957933-A Fungicidal oxazolidinones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-18 US disclosed