SCHEMBL50034

SCHEMBL50034

CC(C)(C)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.46
IDH2 P48735 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CTSD P07339 1/20 0.45
PTGS2 P35354 2/20 0.43
ALOX12 P18054 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2B P41595 1/20 0.43
IDO1 P14902 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
Hydrochloric Acid SCHEMBL8602657 0.97 TSHR (0.46) TSHRNPC1RAB9AATMIDH2
SCHEMBL2445813 0.90 ALDH1A1 (0.62) TSHRNPC1RAB9AATMIDH2
Phosphoric Acid SCHEMBL28582748 0.86 CA12 (0.45) TSHRNPC1RAB9AATMIDH2
SCHEMBL12205824 0.85 IDH2 (0.44) NPC1ATMIDH2ALDH1A1MAPK1
SCHEMBL4603900 0.84 IDO1 (0.39) TSHRNPC1RAB9AATMIDH2
SCHEMBL248960 0.82 TSHR (0.48) TSHRNPC1RAB9AIDH2TDP1
SCHEMBL13258004 0.82 TSHR (0.48) TSHRNPC1RAB9AIDH2TDP1
SCHEMBL13884318 0.80 ALDH1A1 (0.42) NPC1RAB9AATMIDH2ALDH1A1
SCHEMBL11081209 0.79 TSHR (0.40) TSHRRAB9ATDP1ALDH1A1HSD17B10
SCHEMBL583081 0.79 CCNE2 (0.44) TSHRTDP1ALDH1A1HSD17B10CTSD

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 1089 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823813-A Protective agent for power equipment 安徽省力皖节能环保科技有限公司 2025-04-15 CN claimed
CN-119098217-A Modified sulfonic acid-based biochar catalyst loaded with nano zero-valent iron and preparation method and application thereof 南京大学 2024-12-10 CN claimed
CN-116887604-A Laser battery and preparation method thereof 重庆大学 2023-10-13 CN claimed
CN-111116439-B Synthesis process of N, N '-dialkyl-N, N' -diphenyl thiuram disulfide 鹤壁中昊新材料科技有限公司 2023-03-14 CN claimed
EP-4110843-A1 ONE PART MOISTURE CURABLE RESINS FOR ADDITIVE MANUFACTURING Carbon, Inc. (US) 2023-01-04 EP claimed
WO-2022099400-A1 TERNARY DEEP EUTECTIC SOLVENTS AS DRILLING FLUIDS UNIQUEM INC. (CA) 2022-05-19 WO claimed
WO-2022099399-A1 DEEP EUTECTIC SOLVENTS UNIQUEM INC. (CA) 2022-05-19 WO claimed
CN-113214427-B Bio-based ArF photoresist film-forming resin, photoresist composition and preparation method thereof 广东粤港澳大湾区黄埔材料研究院 2022-04-12 CN claimed
CN-114031974-A Ink for ink jet printing and electroluminescent device 广东聚华印刷显示技术有限公司 2022-02-11 CN claimed
CN-113214427-A Bio-based ArF photoresist film-forming resin, photoresist composition and preparation method thereof 中科院长春应化所黄埔先进材料研究院 2021-08-06 CN claimed
US-20090240033-A1 AFFINITY MATRIX LIBRARY AND ITS USE LI RONGXIU 2009-09-24 US claimed
EP-1971668-A1 LEAD-FREE AVIATION FUEL Total France (FR) 2008-09-24 EP claimed
WO-2007074226-A1 LEAD-FREE AVIATION FUEL TOTAL FRANCE (FR) 2007-07-05 WO claimed
EP-1141085-B1 PROCESS FOR PARTIAL OXIDATION OF POLYOXYALKYLENE POLYOL COMPOSITIONS TO POLYCARBOXYLIC ACID COMPOSITIONS RESOLUTION RES NEDERLAND BV (NL) 2005-07-27 EP claimed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
EP-0666253-A1 N-t-BUTYLANILINE ANALOG AND LIPID LEVEL DEPRESSANT CONTAINING THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-08-09 EP claimed
US-5226956-A Paint or varnish for metals, anticorrosion additive ALCAN INTERNATIONAL, INC. (CA) 1993-07-13 US claimed
EP-0016581-B1 ZIEGLER TYPE CATALYST COMPOSITION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-08-08 EP claimed
US-4410730-A Process for the production of o-(N-monosubstituted amino)benzyl alcohols SHIONOGI & CO., LTD. (JP) 1983-10-18 US claimed