SCHEMBL1462403

SCHEMBL1462403

O=C(O)/C=C\C(=O)OS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.52
HDAC3 O15379 1/20 0.52
TNKS O95271 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
PPARG P37231 13/20 0.51
NFE2L2 Q16236 2/20 0.51
LMNA P02545 2/20 0.51
PLIN1 O60240 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL3857849 1.00 HCAR2 (0.52) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL28358859 0.98 PPARG (0.50) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL28358616 0.98 PPARG (0.50) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL3857843 0.95 PPARG (0.56) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL28402816 0.84 HDAC1 (0.40) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL4092799 0.82 PPARG (0.53) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL28035898 0.81 PPARG (0.51) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL15902425 0.81 PPARG (0.51) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL15125041 0.81 PPARG (0.42) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL8915486 0.80 PPARG (0.41) HCAR2HDAC3TNKSHDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116022939-A Coal gasification grey water dispersing agent and preparation method and application thereof 北京弘扬紫东环保科技有限公司 2023-04-28 CN claimed
CN-108299652-A It is a kind of that there is high chiral selective intelligent graphene nano material and its preparation and application 西南民族大学 2018-07-20 CN claimed
CN-114774925-A Efficient corrosion inhibitor for biochemical treatment of circulating cooling water and preparation method and application thereof 西安热工研究院有限公司 2022-07-22 CN disclosed
EP-2480666-B1 COMPOSITIONS, METHODS, AND KITS FOR ISOLATING AND ANALYZING NUCLEIC ACIDS USING AN ANION EXCHANGE MATERIAL QIAGEN GAITHERSBURG INC (US) 2017-03-08 EP disclosed
US-9238809-B2 Compositions, methods, and kits for isolating and analyzing nucleic acids using an anion exchange material QIAGEN GAITHERSBURG, INC. (US) 2016-01-19 US disclosed
EP-2480666-A1 COMPOSITIONS, METHODS, AND KITS FOR ISOLATING AND ANALYZING NUCLEIC ACIDS USING AN ANION EXCHANGE MATERIAL QIAGEN Gaithersburg, Inc. (US) 2012-08-01 EP disclosed
WO-2011037692-A1 COMPOSITIONS, METHODS, AND KITS FOR ISOLATING AND ANALYZING NUCLEIC ACIDS USING AN ANION EXCHANGE MATERIAL QIAGEN GAITHERSBURG INC. (US) 2011-03-31 WO disclosed
US-20110071031-A1 COMPOSITIONS, METHODS, AND KITS FOR ISOLATING AND ANALYZING NUCLEIC ACIDS USING AN ANION EXCHANGE MATERIAL QIAGEN GAITHERSBURG INC. (US) 2011-03-24 US disclosed