SCHEMBL52644

SCHEMBL52644

[CH2]c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
BCHE P06276 4/20 0.44
ACHE P22303 4/20 0.44
KIF11 P52732 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL23794954 0.97 TSHR (0.52) TSHRLMNATYRBCHEACHE
SCHEMBL6013957 0.92 KIF11 (0.56) TSHRLMNATYRBCHEACHE
Magnesium Chloride Anhydrous SCHEMBL28561945 0.89 TSHR (0.46) TSHRLMNATYRBCHEACHE
SCHEMBL6745011 0.85 ALDH1A1 (0.63) TSHRLMNATYRALDH1A1HPGD
SCHEMBL424728 0.83 TSHR (0.73) TSHRLMNATYRBCHEACHE
SCHEMBL5390560 0.77 PDE2A (0.50) TSHRLMNATYRHPGDHSD17B10
SCHEMBL128463 0.77 MEN1 (0.39) TSHRLMNATYRALDH1A1HPGD
SCHEMBL17844878 0.77 TSHR (0.32) TSHRLMNATYRHPGDHSD17B10
Hydrogen Peroxide SCHEMBL28677809 0.76 LMNA (0.71) TSHRLMNATYRBCHEACHE
SCHEMBL6398106 0.75 ALDH1A1 (0.41) TSHRLMNATYRKIF11ALDH1A1

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

Appears in 3308 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-118239883-A Preparation method of lysine-specific demethylase 1 (LSD 1) inhibitor 江苏联环药业股份有限公司 2024-06-25 CN claimed
US-20240182430-A1 SYNTHESIS OF SUBSTITUTED PYRAZINES MEDIBEACON INC. 2024-06-06 US claimed
WO-2024118535-A1 SYNTHESIS AND PURIFICATION OF SUBSTITUTED PYRAZINES MEDIBEACON INC. (US) 2024-06-06 WO claimed
CN-117185925-B Preparation method of polysubstituted aryl carboxylate compound 江西师范大学 2024-04-26 CN claimed
CN-116284021-B Compounds having therapeutic effect on bladder cancer 湖南大学 2024-04-02 CN claimed
CN-117430584-A Novel pyrazole-pyridine derivatives, and preparation method and application thereof 河北农业大学 2024-01-23 CN claimed
CN-117185925-A Preparation method of polysubstituted aryl carboxylate compound 江西师范大学 2023-12-08 CN claimed
CN-117143003-A Fluoroalkyl-substituted bisindolol and synthesis method thereof 宁波大学 2023-12-01 CN claimed
CN-116874383-A Benzophenone LED visible light initiator and preparation method and application thereof 贵州师范学院 2023-10-13 CN claimed
US-4235920-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-25 US claimed
US-4232030-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-04 US claimed
US-4196211-A ANTIBIOTIC MERCK & CO., INC. (US) 1980-04-01 US claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US claimed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 EP claimed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP claimed
US-4128651-A Bis-quaternary pyridinium-2-aldoxime salts and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-12-05 US claimed
US-4078068-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US claimed
US-4078067-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US claimed
US-4076826-A ANTIBIOTIC MERCK & CO., INC. (US) 1978-02-28 US claimed