SCHEMBL6758776

SCHEMBL6758776

CC(C)(C)c1ccc(C(O)C(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CES2 O00748 3/20 0.67
LMNA P02545 3/20 0.67
CES1 P23141 2/20 0.67
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
KCNK9 Q9NPC2 1/20 0.46
ESRRG P62508 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
SRD5A2 P31213 1/20 0.44
TNF P01375 1/20 0.44
KLF5 Q13887 1/20 0.44
NOD1 Q9Y239 1/20 0.44
PTPN1 P18031 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.42

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
SCHEMBL4331474 0.93 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10CES2LMNA
SCHEMBL2847913 0.91 ALDH1A1 (0.79) ALDH1A1TSHRHSD17B10CES2LMNA
SCHEMBL17894697 0.87 CES2 (0.63) ALDH1A1TSHRHSD17B10CES2LMNA
Benzoin SCHEMBL6272429 0.85 CES2 (0.57) ALDH1A1TSHRHSD17B10CES2LMNA
SCHEMBL6512247 0.83 NR1H4 (0.54) ALDH1A1TSHRHSD17B10CES2LMNA
SCHEMBL5445265 0.83 CES2 (0.83) ALDH1A1TSHRHSD17B10CES2LMNA
SCHEMBL7041252 0.81 TDP1 (0.49) ALDH1A1TSHRHSD17B10CES2LMNA
Benzoin SCHEMBL4557692 0.81 LMNA (0.91) ALDH1A1HSD17B10CES2LMNACES1
Benzoin SCHEMBL2025536 0.81 CES2 (1.00) ALDH1A1TSHRCES2LMNACES1
Benzoin SCHEMBL145 0.81 CES2 (1.00) ALDH1A1TSHRCES2LMNACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP claimed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20040082679-A1 Coating composition and coated substrate with good heat stability and colour DSM IP ASSETS B.V. (NL) 2004-04-29 US disclosed
EP-1358280-A1 COATING COMPOSITION AND COATED SUBSTRATE WITH GOOD HEAT STABILITY AND COLOUR DSM IP Assets B.V. (NL) 2003-11-05 EP disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
WO-2002050194-A1 COATING COMPOSITION AND COATED SUBSTRATE WITH GOOD HEAT STABILITY AND COLOUR DSM IP ASSETS B.V. (NL) 2002-06-27 WO disclosed
EP-1148102-A2 Coating composition and coated substrate with good heat stability and colour DSM N.V. (NL) 2001-10-24 EP disclosed
EP-0564282-B1 Bis-dithiobenzilnickel complexes for use in near-infrared absorbing materials and benzoin derivatives as intermediates therefor JUJO PAPER CO LTD (JP) 1996-07-03 EP disclosed
US-5484689-A SUBSTRATE WITH OPTICAL RECORDING LAYER AND COLORLESSS DYE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-01-16 US disclosed
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP disclosed
US-4783393-A UNSYMMETRICAL BIS/1,2-DIPHENYL-1,2-ETHANEDITHIOLATO/2-/-S,S*/-PLATINUM COMPOUNDS EASTMAN KODAK COMPANY (US) 1988-11-08 US disclosed