SCHEMBL8782010

SCHEMBL8782010

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
MAOB P27338 7/20 0.46
PARP10 Q53GL7 3/20 0.46
PARP14 Q460N5 2/20 0.46
PARP15 Q460N3 1/20 0.46
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NR4A2 P43354 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40

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) FFAR1MAOBPTPRCPTPN1KDM4E
SCHEMBL8782268 0.86 NR4A2 (0.48) MAOBNR4A2ALDH1A1MEN1KMT2A
SCHEMBL8782004 0.86 NR4A2 (0.47) FFAR1FFAR4MAOBPTPRCPTPN1
SCHEMBL8782325 0.86 KDM4E (0.48) FFAR1FFAR4MAOBPARP10PTPRC
SCHEMBL9442077 0.85 FFAR4 (0.49) FFAR1FFAR4MAOBALDH1A1
SCHEMBL8782235 0.83 FFAR1 (0.47) FFAR1FFAR4MAOBPTPRCPTPN1
SCHEMBL8782015 0.83 HTT (0.47) MAOBKDM4EALDH1A1GAAMEN1
SCHEMBL8782031 0.81 FFAR1 (0.49) FFAR1FFAR4MAOBPARP10PARP14
SCHEMBL8782006 0.79 MRGPRX4 (0.49) FFAR1FFAR4MEN1MAPTKMT2A
SCHEMBL8783068 0.78 TP53 (0.48) ALDH1A1MEN1MAPTKMT2ATP53

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