SCHEMBL8069191

SCHEMBL8069191

N#CC(=O)c1ccccc1COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
CAPN1 P07384 1/20 0.47
FFAR1 O14842 3/20 0.47
NR4A2 P43354 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8782325 0.88 KDM4E (0.48) KDM4ESMN1; SMN2PTPRCPTPN1FFAR1
SCHEMBL8782004 0.88 NR4A2 (0.47) KDM4EPTPRCPTPN1FFAR1NR4A2
SCHEMBL8782010 0.88 FFAR1 (0.46) KDM4EPTPRCPTPN1FFAR1NR4A2
SCHEMBL8782235 0.86 FFAR1 (0.47) KDM4EPTPRCPTPN1FFAR1NPC1
SCHEMBL8782268 0.86 NR4A2 (0.48) NR4A2NPC1RAB9AALDH1A1HIF1A
SCHEMBL9442077 0.84 FFAR4 (0.49) FFAR1ALDH1A1HIF1AMAOB
SCHEMBL8782209 0.84 MAOB (0.47) FFAR1NR4A2NPC1RAB9ATP53
SCHEMBL8782264 0.84 NR4A2 (0.50) NR4A2NPC1RAB9ATP53HIF1A
SCHEMBL8782035 0.82 HIF1A (0.47) SMN1; SMN2NR4A2NPC1RAB9AHIF1A
SCHEMBL9442048 0.81 MCL1 (0.54) KDM4ENR4A2HTTHIF1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493711-B1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF AG (DE) 1996-09-25 EP claimed
EP-0493711-A1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF Aktiengesellschaft (DE) 1992-07-08 EP claimed
JP-2000256273-A INTERMEDIATE FOR PRODUCING E-OXIME ETHER OF PHENYLGLYOXYLIC ACID ESTER BASF AG 2000-09-19 JP disclosed
CN-1037175-C Halomethylbenzoyl cyanides and process for preparing same BASF AG (DE) 1998-01-28 CN disclosed
EP-0718279-B1 Process for the preparation of o-substituted benzoylcyanides BASF AG (DE) 1997-09-24 EP disclosed
EP-0619300-B1 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF AG (DE) 1996-12-27 EP disclosed
EP-0493711-B1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF AG (DE) 1996-09-25 EP disclosed
EP-0718279-A1 Process for the preparation of o-substituted benzoylcyanides BASF AKTIENGESELLSCHAFT (DE) 1996-06-26 EP disclosed
CN-1097412-A Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides BASF AG (DE) 1995-01-18 CN disclosed
EP-0619300-A2 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF Aktiengesellschaft (DE) 1994-10-12 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