SCHEMBL2561452

SCHEMBL2561452

O=CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CPA3 P15088 3/20 0.50
CPA1 P15085 3/20 0.50
FOLH1 Q04609 1/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
ACE P12821 1/20 0.49
SRR Q9GZT4 2/20 0.48
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
SLC1A1 P43005 2/20 0.48
MME P08473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MDM2 Q00987 1/20 0.47

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
SCHEMBL6789635 0.85 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL12493787 0.85 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6789634 0.85 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL12493782 0.85 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6443176 0.84 EPHX1 (0.55) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL20016694 0.84 ALPI (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6443884 0.84 EPHX1 (0.55) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL21464568 0.82 CYP1A2 (0.47) CYP1A2ALPIPKMPTGS1XIAP
Benzene SCHEMBL28150184 0.82 ALPI (0.48) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4310520 0.82 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104478844-B The method for preparing ketal and acetal GF 生物化学知识产权资产有限公司 2018-12-04 CN disclosed
CN-102414308-B Solvent, solution, Cleasing compositions and method GF生化有限公司 2016-12-21 CN disclosed
CN-101896474-B Process for the preparation of ketals and acetals Xikaidis Co.,Ltd. (US) 2016-02-03 CN disclosed
CN-104478844-A Method of making ketals and acetals SEGETIS INC 2015-04-01 CN disclosed
CN-101802052-B Ketal compounds from polyols and oxocarboxylates SEGETIS INC 2014-05-21 CN disclosed
CN-101883773-B Polyketal compounds, synthesis, and applications SEGETIS INC 2014-05-21 CN disclosed
EP-2382205-B1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI SA (FR) 2014-04-23 EP disclosed
CN-102448303-A Ketal esters of anhydropentitols and their use XLTERRA INC 2012-05-09 CN disclosed
CN-102414308-A Solvent, solution, cleaning composition and method SEGETIS INC 2012-04-11 CN disclosed
EP-2382205-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-11-02 EP disclosed
WO-2010076524-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed
EP-0906900-B1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid AJINOMOTO KK (JP) 2002-01-23 EP disclosed
EP-1117646-A1 PHENYLALKANOIC ACID DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 EP disclosed
US-6093846-A BY REACTING WITH SPECIFIED OPTICALLY ACTIVE AMINES SUCH AS CIS-1-AMINO-2-INDANOL IN A SOLVENT, PRODUCING TWO DIASTEREOISOMERIC SALTS OF DIFFERING SOLUBILITY, FRACTIONAL CRYSTALLIZATION AND DECOMPOSING THE SALT WITH ALKALI OR ACID AJINOMOTO CO., INC. (JP) 2000-07-25 US disclosed
WO-2000020396-A1 PHENYLALKANOIC ACID DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-13 WO disclosed
US-6028217-A CHEMICAL INTERMEDIATE FOR RENIN INHIBITOR OR ENKEPHALINASE ENZYME INHIBITOR AJINOMOTO CO., INC. (JP) 2000-02-22 US disclosed
EP-0906900-A1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid Ajinomoto Co., Inc. (JP) 1999-04-07 EP disclosed
CN-1192244-A Process for obtaining acyloins, pyruvate decarboxylases suitable therefor and their production and DNA sequences of the PDC gene coding them FORSCHUNGSZENTRUM JUELICH GMBH (DE) 1998-09-02 CN disclosed
CN-1144475-A Polyamino salts of alpha-hydroxyacids, alpha-ketoacids and related compounds UNILEVER PLC (NL) 1997-03-05 CN disclosed
US-3992379-A BACTERICIDES LUDWIG HEUMANN & CO. GMBH (DT) 1976-11-16 US disclosed