SCHEMBL4194073

SCHEMBL4194073

CC(C)(C)c1cc(CN=C=O)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
GAA P10253 4/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
HIF1A Q16665 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 1/20 0.49
CYP2D6 P10635 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CA2 P00918 2/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48

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
Tromethamine SCHEMBL7603877 0.89 ALDH1A1 (0.46) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL9517658 0.83 ALDH1A1 (0.50) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL27600786 0.80 CYP2C19 (0.46) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL6474809 0.76 ALDH1A1 (0.53) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL16421746 0.76 ALDH1A1 (0.53) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL8816811 0.76 GABRA1 (0.37) ALDH1A1POLBCYP2C19HMGCR
SCHEMBL460071 0.76 POLB (0.34) ALDH1A1POLBCYP2C19HMGCR
SCHEMBL199862 0.73 CYP3A4 (0.32) ALDH1A1TSHRCYP3A4HPGD
SCHEMBL14016140 0.73 ALDH1A1 (0.56) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL11461405 0.73 ALDH1A1 (0.59) ALDH1A1GAATSHRLMNAMAPT

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1884364-A Composition for manufacturing photochromic resin lens SHANGHAI WEIXING OPTICAL CO LT (CN) 2006-12-27 CN claimed
CN-117999299-A Composition, adhesive and bonded body 电化株式会社 2024-05-07 CN disclosed
CN-117447778-A Easily-processed crosslinked polyethylene composition for hot water pipe and preparation method of hot water pipe 中国石化扬子石油化工有限公司 2024-01-26 CN disclosed
CN-110998752-B Insulation composition 盛瑞士集团有限责任公司 2023-10-27 CN disclosed
CN-115968394-A Ink composition containing luminescent particles, light conversion layer and light-emitting element DIC株式会社 2023-04-14 CN disclosed
CN-115895076-A Peroxide crosslinked polyethylene composition for pipes and preparation method thereof 中国石化扬子石油化工有限公司 2023-04-04 CN disclosed
CN-111344161-B Non-pneumatic tire 株式会社普利司通 2022-03-22 CN disclosed
CN-113956400-A Silane crosslinked polyethylene resin composition for pipes and method for preparing pipes 中国石化扬子石油化工有限公司 2022-01-21 CN disclosed
CN-107922705-B Thermoplastic resin composition having paper texture and molded product formed therefrom 乐天尖端材料株式会社 2021-02-19 CN disclosed
CN-111344161-A Non-pneumatic tire 株式会社普利司通 2020-06-26 CN disclosed
EP-2104692-B1 METHACRYLATE RESIN WITH EXCELLENT DISCOLORATION-RESISTANCE AND TRANSPARENCY AND METHOD FOR PREPARING THE SAME CHEIL IND INC (KR) 2012-08-08 EP disclosed
CN-101627084-B Improved properties of peroxide-cured elastomer compositions EXXON MOBIL CHEM PATENTS INC 2012-06-20 CN disclosed
CN-1884364-B Composition for manufacturing photochromic resin lens SHANGHAI WEIXING OPTICAL CO LTD 2010-08-25 CN disclosed
CN-101627084-A The improved properties of the elastic composition of peroxide cure EXXONMOBIL CHEM PATENTS INC 2010-01-13 CN disclosed
EP-2104692-A1 METHACRYLATE RESIN WITH EXCELLENT DISCOLORATION-RESISTANCE AND TRANSPARENCY AND METHOD FOR PREPARING THE SAME Cheil Industries Inc. (KR) 2009-09-30 EP disclosed
CN-101522804-A Flame-retardant polycarbonate resin composition, polycarbonate resin molded article, and method for producing same IDEMITSU KOSAN CO (JP) 2009-09-02 CN disclosed
CN-101522806-A Flame-retardant polycarbonate resin composition, polycarbonate resin molded article, and method for producing same IDEMITSU KOSAN CO (JP) 2009-09-02 CN disclosed
WO-2008078918-A1 METHACRYLATE RESIN WITH EXCELLENT DISCOLORATION-RESISTANCE AND TRANSPARENCY AND METHOD FOR PREPARING THE SAME CHEIL INDUSTRIES INC. (KR) 2008-07-03 WO disclosed
CN-1884364-A Composition for manufacturing photochromic resin lens SHANGHAI WEIXING OPTICAL CO LT (CN) 2006-12-27 CN disclosed
CN-1453307-A Fiber reinforced polyolefine resin composition and moulding products SUMITOMO CHEMICAL CO (JP) 2003-11-05 CN disclosed