SCHEMBL29699758

SCHEMBL29699758

CCCCCCCCCc1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.56
MCL1 Q07820 6/20 0.56
BCL2L1 Q07817 5/20 0.56
BAK1 Q16611 5/20 0.56
KAT8 Q9H7Z6 3/20 0.56
SAE1 Q9UBE0 2/20 0.56
EP300 Q09472 2/20 0.56
KAT5 Q92993 2/20 0.56
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
KAT2A Q92830 1/20 0.56
KAT2B Q92831 1/20 0.56
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
MMP2 P08253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
ECE1 P42892 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49

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
SCHEMBL28319986 1.00 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28899683 1.00 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8937848 1.00 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28465048 0.98 BID (0.54) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27491325 0.94 GPR35 (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29467784 0.94 GPR35 (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28825889 0.89 BID (0.46) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL30818240 0.87 GPR35 (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28671609 0.87 GPR35 (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL22261894 0.86 TYR (0.51) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110075920-B Preparation method and application of hierarchical porous silicon sphere loaded phosphomolybdic tungstic heteropoly acid catalyst 万华化学集团股份有限公司 2022-07-12 CN disclosed