SCHEMBL5573085

SCHEMBL5573085

O=C(O)CC(NC(=O)Cc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
UTS2R Q9UKP6 1/20 0.51
KMT2A Q03164 3/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
MEN1 O00255 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NLRP3 Q96P20 1/20 0.48
CNR2 P34972 1/20 0.48
CASP1 P29466 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL14402829 0.97 NR1H4 (0.53) NR1H4KEAP1NFE2L2UTS2RKMT2A
SCHEMBL27558113 0.85 CNR2 (0.65) KEAP1NFE2L2UTS2RKMT2ASMN1; SMN2
SCHEMBL6956276 0.85 CNR2 (0.65) KEAP1NFE2L2UTS2RKMT2ASMN1; SMN2
SCHEMBL28760324 0.85 CNR2 (0.65) KEAP1NFE2L2UTS2RKMT2ASMN1; SMN2
SCHEMBL4956568 0.83 NR1H4 (0.58) NR1H4KMT2AMEN1NLRP3CASP1
SCHEMBL2314623 0.77 PIN1 (0.59) NR1H4UTS2RKMT2AMEN1ITGB3
SCHEMBL2315069 0.77 PIN1 (0.59) NR1H4UTS2RKMT2AMEN1ITGB3
SCHEMBL2314616 0.77 PIN1 (0.59) NR1H4UTS2RKMT2AMEN1ITGB3
SCHEMBL7359308 0.76 SLC1A3 (0.50) UTS2RITGB3ITGA2BSMN1; SMN2
SCHEMBL6953151 0.76 KMT2A (0.71) KEAP1NFE2L2UTS2RKMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101431983-A Multifunctional supramolecular hydrogels as biomaterials UNIV HONG KONG SCIENCE & TECHN (HK) 2009-05-13 CN disclosed
US-20070243255-A1 Multifunctional supramolecular hydrogels as biomaterials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2007-10-18 US disclosed
US-20070224273-A1 Multifunctional Supramolecular Hydrogels as Biomaterials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2007-09-27 US disclosed
EP-1793807-A2 MULTIFUNCTIONAL SUPRAMOLECULAR HYDROGELS AS BIOMATERIALS The Hong Kong University of Science and Technology (CN) 2007-06-13 EP disclosed
WO-2006037113-A2 MULTIFUNCTIONAL SUPRAMOLECULAR HYDROGELS AS BIOMATERIALS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2006-04-06 WO disclosed