SCHEMBL14402829

SCHEMBL14402829

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
UTS2R Q9UKP6 1/20 0.49
KMT2A Q03164 4/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MEN1 O00255 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
NLRP3 Q96P20 1/20 0.46
CASP1 P29466 1/20 0.46
CNR2 P34972 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5573085 0.97 NR1H4 (0.56) NR1H4KEAP1NFE2L2SMN1; SMN2UTS2R
SCHEMBL27558113 0.83 CNR2 (0.65) KEAP1NFE2L2SMN1; SMN2UTS2RKMT2A
SCHEMBL6956276 0.83 CNR2 (0.65) KEAP1NFE2L2SMN1; SMN2UTS2RKMT2A
SCHEMBL28760324 0.83 CNR2 (0.65) KEAP1NFE2L2SMN1; SMN2UTS2RKMT2A
SCHEMBL4956568 0.81 NR1H4 (0.58) NR1H4KMT2AMEN1NLRP3CASP1
SCHEMBL2314623 0.75 PIN1 (0.59) NR1H4SMN1; SMN2UTS2RKMT2AMEN1
SCHEMBL2315069 0.75 PIN1 (0.59) NR1H4SMN1; SMN2UTS2RKMT2AMEN1
SCHEMBL2314616 0.75 PIN1 (0.59) NR1H4SMN1; SMN2UTS2RKMT2AMEN1
SCHEMBL7359308 0.74 SLC1A3 (0.50) SMN1; SMN2UTS2RITGB3ITGA2B
SCHEMBL6953151 0.74 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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