SCHEMBL3700347

SCHEMBL3700347

COC(O)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.50
CES1 P23141 1/20 0.50
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SRC P12931 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALOX15 P16050 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 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
SCHEMBL8036600 1.00 KCNN4 (0.50) KCNN4CES1CYP1A2CYP2D6MAPT
SCHEMBL14899575 0.85 CES1 (0.48) KCNN4CES1CYP1A2CYP2D6MAPT
SCHEMBL277653 0.82 CES1 (0.65) KCNN4CES1MAPTKMT2ASRC
Methoxymethane SCHEMBL36163 0.80 CES1 (0.62) KCNN4CES1MAPTKMT2ASRC
SCHEMBL2130744 0.80 CYP1A2 (0.46) KCNN4CES1CYP1A2CYP2D6MAPT
SCHEMBL1354212 0.79 CYP1A2 (0.44) KCNN4CES1CYP1A2CYP2D6MAPT
SCHEMBL14800032 0.79 CYP1A2 (0.44) KCNN4CES1CYP1A2CYP2D6MAPT
SCHEMBL5322819 0.79 KCNN4 (0.42) KCNN4CES1CYP1A2CYP2D6MAPT
SCHEMBL5171119 0.79 CYP1A2 (0.44) KCNN4CES1CYP1A2CYP2D6MAPT
SCHEMBL10878211 0.77 CYP1A2 (0.43) KCNN4CES1CYP1A2CYP2D6MAPT

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
US-20250076301-A1 BIOMARKER FOR PROSTATE CANCER NATIONAL TAIWAN UNIVERSITY (TW) 2025-03-06 US disclosed
CN-111359662-B Copper ligand catalyst, preparation method thereof and application thereof in mandelic acid oxidation reaction 万华化学集团股份有限公司(CN) 2023-01-13 CN disclosed
US-20220315968-A1 PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2022-10-06 US disclosed
EP-2452985-B1 METALLIC PIGMENT, METHOD FOR PRODUCING SAME, AND AQUEOUS METALLIC RESIN COMPOSITION CONTAINING SAME TOYO ALUMINIUM KK (JP) 2016-09-07 EP disclosed
US-8926743-B2 Metal pigment, method for producing the same, and water base metallic resin composition including the same TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2015-01-06 US disclosed
US-20120129998-A1 METAL PIGMENT, METHOD FOR PRODUCING THE SAME, AND WATER BASE METALLIC RESIN COMPOSITION INCLUDING THE SAME TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2012-05-24 US disclosed
EP-2452985-A1 METALLIC PIGMENT, METHOD FOR PRODUCING SAME, AND AQUEOUS METALLIC RESIN COMPOSITION CONTAINING SAME Toyo Aluminium Kabushiki Kaisha (JP) 2012-05-16 EP disclosed
EP-1692089-A2 A PROCESS FOR RESOLVING, OPTIONALLY SUBSTITUTED, MANDELIC ACIDS BY SALT FORMATION WITH A CHIRAL BASE CYCLIC AMIDE Astrazeneca UK Limited (GB) 2006-08-23 EP disclosed
WO-2005054168-A2 A PROCESS FOR RESOLVING, OPTIONALLY SUBSTITUTED, MANDELIC ACIDS BY SALT FORMATION WITH A CHIRAL BASE CYCLIC AMIDE ASTRAZENECA AB (SE) 2005-06-16 WO disclosed
EP-0273017-B1 N-ALKYL DERIVATIVES OF 2-AMINO-6,7-DIMETHOXY TETRALINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS HAVING ANTIHYPERTENSIVE ACTIVITY CONTAINING SAME SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-09-16 EP disclosed
US-5047433-A N-alkyl derivatives of 2-amino-6,7-dimethoxy tetraline and pharmaceutical compositions having antihypertensive activity containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1991-09-10 US disclosed
EP-0273017-A2 N-alkyl derivatives of 2-amino-6,7-dimethoxy tetraline, process for their preparation and pharmaceutical compositions having antihypertensive activity containing same SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-06-29 EP disclosed