SCHEMBL4577204

SCHEMBL4577204

CC(CC(C)(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 4/20 0.48
POLB P06746 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
NPC1 O15118 2/20 0.47
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL11422594 0.88 LMNA (0.48) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL30367133 0.86 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL30367204 0.85 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL9107821 0.85 TSHR (0.57) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL10281593 0.84 CYP2D6 (0.51) CYP1A2CYP2D6CYP2C19LMNASCN1A
SCHEMBL27456899 0.84 LMNA (0.50) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL30366973 0.81 CYP2D6 (0.53) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL18965865 0.81 ALDH1A1 (0.43) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL569745 0.79 CYP2D6 (0.51) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL1073794 0.79 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C19LMNAPOLB

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
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP disclosed
US-8715896-B2 Polyalkylene glycol benzoate containing photoconductors XEROX CORPORATION (US) 2014-05-06 US disclosed
US-20120196217-A1 POLYALKYLENE GLYCOL BENZOATE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-08-02 US disclosed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
EP-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed
CN-1213080-C Catalyst for olefine polymerizing reaction and its components CHINA PETROCHEMICAL CORP (CN) 2005-08-03 CN disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
CN-1453298-A Catalyst for olefine polymerizing reaction and its components CHINA PETROCHEMICAL CORP (CN) 2003-11-05 CN disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed
EP-0608132-B1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 1998-05-20 EP disclosed
US-5439511-A Composition containing polymer obtained by polymerizing unsaturated acid anhydride and another unsaturated compound, specified additive HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
EP-0608132-A1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 EP disclosed