SCHEMBL9979219

SCHEMBL9979219

CC(C)c1ccccc1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CES2 O00748 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
GABRA1 P14867 2/20 0.44
GABRB1 P18505 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44

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
Hydrogen Peroxide SCHEMBL8008634 0.88 KDM4E (0.58) TSHRCYP1A2CYP2C19CES2L3MBTL1
SCHEMBL991362 0.86 TSHR (0.50) TSHRCYP1A2CYP2C19CES2L3MBTL1
SCHEMBL720572 0.86 KDM4E (0.55) TSHRCYP1A2CYP2C19CES2KMT2A
SCHEMBL28888676 0.85 KMT2A (0.42) TSHRCYP1A2CYP2C19L3MBTL1KMT2A
SCHEMBL29655932 0.85 KDM4E (0.42) TSHRCYP1A2CYP2C19CES2L3MBTL1
SCHEMBL1790171 0.85 KDM4E (0.42) TSHRCYP1A2CYP2C19CES2L3MBTL1
SCHEMBL10524187 0.85 KDM4E (0.42) TSHRCYP1A2CYP2C19CES2L3MBTL1
SCHEMBL6398525 0.84 TSHR (0.49) TSHRCYP1A2CYP2C19CES2L3MBTL1
SCHEMBL28984011 0.83 KDM4E (0.42) TSHRCYP1A2KMT2AGABRA1GABRB1
SCHEMBL8846909 0.83 TYR (0.42) TSHRCYP1A2CYP2C19L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
CN-112020493-B Method for producing urethane and method for producing isocyanate 旭化成株式会社 2023-04-21 CN disclosed
CN-115838452-A Resin, preparation method, resin composition, optical film, adhesive and polymer 华为技术有限公司 2023-03-24 CN disclosed
CN-105762402-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery 三菱化学株式会社 2016-07-13 CN disclosed
CN-103078137-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORP. (JP) 2015-09-16 CN disclosed
CN-104600360-A NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP 2015-05-06 CN disclosed
US-8445602-B2 Poly lactic acid resin, resin composition, and resin molding FUJI XEROX CO., LTD. (JP) 2013-05-21 US disclosed
CN-103078137-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2013-05-01 CN disclosed
US-20110319553-A1 POLY LACTIC ACID RESIN, RESIN COMPOSITION, AND RESIN MOLDING FUJI XEROX CO., LTD. (JP) 2011-12-29 US disclosed
CN-101960662-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2011-01-26 CN disclosed