SCHEMBL3106328

SCHEMBL3106328

O=C1C=Cc2ccccc2C1.[KH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 2/20 0.40
PARP1 P09874 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TRPA1 O75762 1/20 0.36
CES1 P23141 3/20 0.35
BCHE P06276 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
ALOX15 P16050 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL461295 0.98 GSK3A (0.46) GSK3AGSK3BCYP1A2CYP2A6MAOA
SCHEMBL29421729 0.98 GSK3A (0.46) GSK3AGSK3BCYP1A2CYP2A6MAOA
SCHEMBL3102143 0.95 GSK3A (0.43) GSK3AGSK3BCYP1A2CYP2A6MAOA
SCHEMBL3107446 0.95 GSK3A (0.43) GSK3AGSK3BCYP1A2CYP2A6MAOA
SCHEMBL30579936 0.95 GSK3A (0.43) GSK3AGSK3BCYP1A2CYP2A6MAOA
Hydrochloric Acid SCHEMBL8917627 0.95 GSK3A (0.43) GSK3AGSK3BCYP1A2CYP2A6MAOA
SCHEMBL28090476 0.95 GSK3A (0.43) GSK3AGSK3BCYP1A2CYP2A6MAOA
SCHEMBL6517663 0.91 GSK3A (0.40) GSK3AGSK3BCYP1A2CYP2A6MAOA
SCHEMBL1793601 0.90 MAOA (0.41) GSK3AGSK3BCYP1A2CYP2A6MAOA
SCHEMBL283346 0.80 TRPA1 (0.50) CYP1A2MAOAMAOBPARP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035100-B1 Preparation of aromatic hydroxycarboxylic acids DU PONT (US) 2006-07-12 EP claimed
EP-1149821-B1 Process for drying an alkali metal aryloxide DU PONT (US) 2006-06-28 EP claimed
EP-0892773-B1 PREPARATION OF AROMATIC HYDROXYCARBOXYLIC ACIDS AND DIALKALI METAL SALTS THEREOF DU PONT (US) 2005-06-29 EP claimed
EP-1149821-A1 Process for drying an alkali metal aryloxide E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-10-31 EP claimed
EP-1035100-A1 Preparation of aromatic hydroxycarboxylic acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-09-13 EP claimed
US-6028218-A AGITATING AND HEATING AT LEAST ABOUT 275.DEGREE. C. TO MELT AN ALKALI METAL ARYLOXIDE, THEN CARBOXYLATION WITH CARBON DIOXIDE; HIGH SPEED REACTION; USEFUL FOR THE PREPARATION OF AROMATIC HYDROXYCARBOXYLIC ACIDS CHEMICAL INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-02-22 US claimed
US-5977405-A Preparation of aromatic hydroxycarboxylic acids and dialkali metal salts thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US claimed
EP-0892773-A2 PREPARATION OF AROMATIC HYDROXYCARBOXYLIC ACIDS AND DIALKALI METAL SALTS THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-27 EP claimed
WO-1997037958-A2 PREPARATION OF AROMATIC HYDROXYCARBOXYLIC ACIDS AND DIALKALI METAL SALTS THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-10-16 WO claimed
US-4345094-A Process for the production of 6-hydroxy-2-naphthoic acid AMERICAN CYANAMID COMPANY (US) 1982-08-17 US claimed
US-4345095-A Process for the production of 6-hydroxy-2-naphthoic acid AMERICAN CYANAMID COMPANY (US) 1982-08-17 US claimed
WO-1981002573-A1 PROCESS FOR THE PRODUCTION OF 6-HYDROXY-2-NAPHTHOIC ACID AMERICAN CYANAMID CO (US) 1981-09-17 WO claimed
US-4287357-A Process for the production of 6-hydroxy-2-naphthoic acid AMERICAN CYANAMID COMPANY (US) 1981-09-01 US claimed
US-9587060-B2 Functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2017-03-07 US disclosed
US-8344171-B2 Process for making dihydrocarbyl hydrocarbonphosphonates ALBEMARLE CORPORATION (US) 2013-01-01 US disclosed
US-20100179342-A1 PROCESS FOR MAKING DIHYDROCARBYL HYDROCARBONPHOSPHONATES ALBEMARLE CORPORATION (US) 2010-07-15 US disclosed
WO-1981002573-A1 PROCESS FOR THE PRODUCTION OF 6-HYDROXY-2-NAPHTHOIC ACID AMERICAN CYANAMID CO (US) 1981-09-17 WO disclosed
WO-1981002573-A1 PROCESS FOR THE PRODUCTION OF 6-HYDROXY-2-NAPHTHOIC ACID AMERICAN CYANAMID CO (US) 1981-09-17 WO disclosed
US-4287357-A Process for the production of 6-hydroxy-2-naphthoic acid AMERICAN CYANAMID COMPANY (US) 1981-09-01 US disclosed
US-4287357-A Process for the production of 6-hydroxy-2-naphthoic acid AMERICAN CYANAMID COMPANY (US) 1981-09-01 US disclosed