SCHEMBL8782004

SCHEMBL8782004

N#CC(=O)c1ccccc1COc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
OPRL1 P41146 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8069191 0.88 KDM4E (0.48) NR4A2FFAR1MAPTMAOBNPC1
SCHEMBL8782010 0.86 FFAR1 (0.46) NR4A2FFAR1FFAR4MAPTMAOB
SCHEMBL8782325 0.86 KDM4E (0.48) NR4A2FFAR1FFAR4MAOAMAOB
SCHEMBL8782264 0.85 NR4A2 (0.50) NR4A2MRGPRX4MAOAMAOBOPRL1
SCHEMBL8782235 0.83 FFAR1 (0.47) FFAR1FFAR4MAPTMAOAMAOB
SCHEMBL9442077 0.82 FFAR4 (0.49) FFAR1FFAR4MRGPRX4MAOAMAOB
SCHEMBL8782222 0.82 NR4A2 (0.51) NR4A2FFAR1FFAR4MRGPRX4MAOA
SCHEMBL8782195 0.81 MRGPRX4 (0.72) MRGPRX4NPC1RAB9ATP53HTT
SCHEMBL8594844 0.81 FFAR1 (0.39) NR4A2FFAR1FFAR4MRGPRX4MAPT
SCHEMBL8594846 0.81 FFAR1 (0.39) NR4A2FFAR1FFAR4MRGPRX4MAPT

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-0718279-B1 Process for the preparation of o-substituted benzoylcyanides BASF AG (DE) 1997-09-24 EP disclosed
EP-0718279-A1 Process for the preparation of o-substituted benzoylcyanides BASF AKTIENGESELLSCHAFT (DE) 1996-06-26 EP disclosed
US-5221762-A Reacting a phenol with benzolactone compound; then phosgene or thionyl chloride; esterification with alcohol BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0493711-A1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF Aktiengesellschaft (DE) 1992-07-08 EP disclosed