SCHEMBL789452

SCHEMBL789452

O=C1NC(=O)c2c1c(O)cc1ccccc21.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.47
ALOX5 P09917 1/20 0.43
GLI1 P08151 1/20 0.43
GLI2 P10070 1/20 0.43
PRKCA P17252 3/20 0.42
EGFR P00533 1/20 0.42
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
GSK3B P49841 3/20 0.42
GSK3A P49840 2/20 0.42
CHEK1 O14757 2/20 0.42
NQO2 P16083 1/20 0.41
DAO P14920 1/20 0.41
DDO Q99489 1/20 0.41
PIM1 P11309 1/20 0.41
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
ROCK2 O75116 2/20 0.40
NQO1 P15559 1/20 0.40
CDC25B P30305 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
SCHEMBL1756365 0.98 TRPM4 (0.48) TRPM4ALOX5GLI1GLI2PRKCA
Trifluoromethanesulfonic Acid SCHEMBL1028231 0.85 EGFR (0.38) TRPM4ALOX5GLI1GLI2PRKCA
SCHEMBL113917 0.85 TSHR (0.44) TRPM4ALOX5GLI1GLI2PRKCA
SCHEMBL4101250 0.79 CHEK1 (0.43) ALOX5GLI1GLI2PRKCAEGFR
SCHEMBL11617216 0.79 GLI1 (0.49) GLI1GLI2CDK5CDK5R1GSK3B
SCHEMBL339346 0.76 GAA (0.41) PRKCACDK5CDK5R1GSK3BGSK3A
SCHEMBL6848266 0.76 CDK4 (0.42) PRKCACDK5CDK5R1GSK3BGSK3A
SCHEMBL1889878 0.76 PARP1 (0.55) PRKCACDK5CDK5R1GSK3BGSK3A
SCHEMBL3852137 0.76 CDK4 (0.44) PRKCACDK5CDK5R1GSK3BGSK3A
SCHEMBL11667133 0.76 CES1 (0.39) GLI1GLI2PRKCACDK5CDK5R1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895444-A1 PROCESS FOR PRODUCING PHENOL AND/OR CYCLOHEXANONE FROM CYCLOHEXYLBENZENE ExxonMobil Chemical Patents Inc. (US) 2015-07-22 EP disclosed
EP-2844628-A1 PROCESS FOR SEPARATING A MIXTURE COMPRISING CYCLOHEXANONE AND PHENOL ExxonMobil Chemical Patents Inc. (US) 2015-03-11 EP disclosed
WO-2014088842-A1 PROCESS FOR PRODUCING PHENOL EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-06-12 WO disclosed
WO-2014043371-A1 PROCESS FOR PRODUCING PHENOL AND/OR CYCLOHEXANONE FROM CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-20 WO disclosed
EP-2699348-A2 METHOD FOR PRODUCING PHENOL AND/OR CYCLOHEXANONE Exxonmobil Chemical Patents Inc. (US) 2014-02-26 EP disclosed
EP-2699347-A2 PROCESS FOR PRODUCING PHENOL Exxonmobil Chemical Patents Inc. (US) 2014-02-26 EP disclosed
WO-2014028139-A1 PROCESS FOR PRODUCING CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-02-20 WO disclosed
EP-2691359-A1 DEHYDROGENATION PROCESS Exxonmobil Chemical Patents Inc. (US) 2014-02-05 EP disclosed
EP-2675772-A1 PROCESS FOR PRODUCING CYCLOHEXYLBENZENE ExxonMobil Chemical Patents Inc. (US) 2013-12-25 EP disclosed
WO-2013165656-A1 PROCESS FOR SEPARATING A MIXTURE COMPRISING CYCLOHEXANONE AND PHENOL EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-11-07 WO disclosed
EP-1984311-A1 PROCESS FOR PRODUCING PHENOL AND METHYL ETHYL KETONE ExxonMobil Chemical Patents Inc. (US) 2008-10-29 EP disclosed
EP-1984315-A1 PROCESS FOR PRODUCING PHENOL AND METHYL ETHYL KETONE Exxonmobil Chemical Patents Inc. (US) 2008-10-29 EP disclosed
WO-2008101616-A1 PRODUCTION OF ALKYLAROMATIC COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-08-28 WO disclosed
WO-2007093358-A1 PROCESS FOR PRODUCING PHENOL AND METHYL ETHYL KETONE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-08-23 WO disclosed
WO-2007093359-A1 PROCESS FOR PRODUCING SEC-BUTYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-08-23 WO disclosed
WO-2007093362-A1 PROCESS FOR PRODUCING PHENOL AND METHYL ETHYL KETONE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-08-23 WO disclosed
EP-0698230-A1 CHEMICALLY AMPLIFIED PHOTORESIST International Business Machines Corporation (US) 1996-02-28 EP disclosed
EP-0698230-A4 CHEMICALLY AMPLIFIED PHOTORESIST IBM (US) 1995-10-24 EP disclosed
WO-1994010608-A9 CHEMICALLY AMPLIFIED PHOTORESIST 1994-07-21 WO disclosed
WO-1994010608-A1 CHEMICALLY AMPLIFIED PHOTORESIST INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-05-11 WO disclosed