SCHEMBL4805596

SCHEMBL4805596

C=CC(=O)OC=C(C)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
GLO1 Q04760 1/20 0.41
TSHR P16473 8/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 8/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9248652 0.86 TSHR (0.46) TSHRHPGDALDH1A1HSD17B10TP53
SCHEMBL27759645 0.85 HCAR2 (0.45) NPSR1GLO1TSHRCYP2D6CYP2C19
SCHEMBL28136272 0.84 TSHR (0.36) TSHRHPGDALDH1A1HSD17B10TP53
SCHEMBL23674606 0.83 TSHR (0.61) NPSR1TSHRHPGDALDH1A1HSD17B10
SCHEMBL27647055 0.82 TSHR (0.33) NPSR1GLO1TSHRHPGDALDH1A1
SCHEMBL25185169 0.82 TSHR (0.54) NPSR1TSHRHPGDALDH1A1CYP3A4
SCHEMBL25220076 0.81 TSHR (0.59) TSHRHPGDALDH1A1HSD17B10TP53
SCHEMBL1318983 0.81 TSHR (0.46) TSHRHPGDALDH1A1HSD17B10TP53
SCHEMBL25426670 0.80 TSHR (0.54) NPSR1TSHRHPGDALDH1A1CYP3A4
SCHEMBL22042871 0.80 TSHR (0.54) NPSR1TSHRHPGDALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3893863-A1 <SMALLCAPS/>? ? ?S? ? ? ? ?()-N-HYDROXY-2-(2-(4-METHOXYPHENYL)BUTANAMIDO)THIAZOLE-5-CARBOXAMIDE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TRANSLATIONAL DRUG DEVELOPMENT LLC (US) 2021-10-20 EP disclosed
WO-2020123414-A1 (S)-N-HYDROXY-2-(2-(4-METHOXYPHENYL)BUTANAMIDO)THIAZOLE-5-CARBOXAMIDE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-06-18 WO disclosed
WO-2019187860-A1 MEDICAL APPLIANCE AND PRODUCTION METHOD FOR MEDICAL APPLIANCE テルモ株式会社 2019-10-03 WO disclosed
EP-1368430-B1 DENTAL AND MEDICAL POLYMER COMPOSITES AND COMPOSITIONS STICK TECH OY (FI) 2008-09-10 EP disclosed
US-7354969-B2 Dental and medical polymer composites and compositions STICK TECH OY (FI) 2008-04-08 US disclosed
CN-1720268-A Method for radical polymerisation in the presence of a chain transfer agent BASF AG (DE) 2006-01-11 CN disclosed
US-20040097627-A1 Dental and medical polymer composites and compositions STICK TECH OY (FI) 2004-05-20 US disclosed
EP-1368430-A1 DENTAL AND MEDICAL POLYMER COMPOSITES AND COMPOSITIONS Vallittu, Pekka (FI) 2003-12-10 EP disclosed
WO-2002062901-A1 DENTAL AND MEDICAL POLYMER COMPOSITES AND COMPOSITIONS VALLITTU PEKKA (FI) 2002-08-15 WO disclosed
US-5886064-A A CURABLE DENTAL COMPOSITION COMPRISING AN UNSATURATED MONOMER, A POLYMERIZATION INITITATOR, FILLER AND DENDRIMER HAVING UNSATURATED END GROUPS IVOCLAR AG (LI) 1999-03-23 US disclosed