SCHEMBL2187685

SCHEMBL2187685

CCCCCCCCC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.36
IAPP P10997 1/20 0.35
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
GSK3B P49841 6/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL30245015 0.89 GAA (0.38) GAAKMT2AIAPPMAOBMAOA
SCHEMBL1932289 0.89 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL4647349 0.89 PTGS2 (0.35) CYP3A4GAAKMT2ACNR1CNR2
SCHEMBL10880369 0.89 PTGS2 (0.35) CYP3A4GAAKMT2ACNR1CNR2
Propionic Acid SCHEMBL6295773 0.88 OXER1 (0.36) GAAKMT2ACNR1CNR2
SCHEMBL29403911 0.88 EPHX2 (0.41) GAAKMT2AEPHX2CNR1CNR2
SCHEMBL13030430 0.88 EPHX2 (0.41) GAAKMT2AEPHX2CNR1CNR2
SCHEMBL9229451 0.88 EPHX2 (0.41) GAAKMT2AEPHX2CNR1CNR2
SCHEMBL78014 0.88 EPHX2 (0.41) GAAKMT2AEPHX2CNR1CNR2
SCHEMBL6908032 0.87 NPC1 (0.36) GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113544199-B Anti-counterfeit label for high temperature applications 罗姆化学有限责任公司 2023-07-04 CN disclosed
US-20110213077-A1 Hydroquinone-containing polyesters having improved whiteness SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-09-01 US disclosed
US-20110204407-A1 Power LED device with a reflector made of aromatic polyester and/or wholly aromatic polyester SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-08-25 US disclosed
EP-2342255-A1 HYDROQUINONE-CONTAINING POLYESTERS HAVING IMPROVED WHITENESS Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
EP-2342766-A1 POWER LED DEVICE WITH A REFLECTOR MADE OF AROMATIC POLYESTER AND/OR WHOLLY AROMATIC POLYESTER Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
WO-2010049526-A1 HYDROQUINONE-CONTAINING POLYESTERS HAVING IMPROVED WHITENESS SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-05-06 WO disclosed
WO-2010049531-A1 POWER LED DEVICE WITH A REFLECTOR MADE OF AROMATIC POLYESTER AND/OR WHOLLY AROMATIC POLYESTER SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-05-06 WO disclosed
EP-1498442-B1 Method for the preparation of a polyester block copolymer composition DAICEL CHEM (JP) 2009-02-11 EP disclosed
US-7196123-B2 Polyester block copolymer composition and process for the preparation thereof WATANABE JUN 2007-03-27 US disclosed
EP-1498442-A2 Method for the preparation of a polyester block copolymer, a polyester block copolymer composition and method for the preparation thereof Daicel Chemical Industries, Ltd. (JP) 2005-01-19 EP disclosed
US-20040010092-A1 Method for the preparation of a polyester block copolymer, a polyester block copolymer composition and method for the preparation thereof WATANABE JUN (JP) 2004-01-15 US disclosed
US-6593434-B1 Condensation polymerization, esterification, melt mixing or kneading; high molecular weight, low crystallinity DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-1120432-A1 PROCESS FOR THE PRODUCTION OF POLYESTER BLOCK COPOLYMERS, POLYESTER BLOCK COPOLYMER COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2001-08-01 EP disclosed