SCHEMBL28030079

SCHEMBL28030079

O=S(=O)(O)CCCOc1ccc(C(=C(c2ccc(OCCCS(=O)(=O)O)cc2)c2ccc(OCCCS(=O)(=O)O)cc2)c2ccc(OCCCS(=O)(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 2/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
BRCA1 P38398 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GMNN O75496 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
HIF1A Q16665 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 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
SCHEMBL22115686 0.93 PKM (0.53) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL12659237 0.93 PKM (0.53) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL16414684 0.92 PKM (0.51) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL4872642 0.90 ALDH1A1 (0.54) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5583900 0.88 ALDH1A1 (0.53) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL80629 0.88 PTGS2 (0.54) TP53TSHRPLA2G4BLTA4HESR1
SCHEMBL15101908 0.88 PTGS2 (0.54) TP53TSHRPLA2G4BLTA4HESR1
SCHEMBL80670 0.87 ESRRG (0.48) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL11275464 0.86 ALDH1A1 (0.52) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL15306837 0.85 ESR1 (0.46) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2

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
CN-104892815-A Luminescent nano micro-spheres with positive charge on surface and possessing aggregation induced fluorescence enhancement property and biological application thereof UNIV JILIN 2015-09-09 CN claimed
CN-104892815-A Luminescent nano micro-spheres with positive charge on surface and possessing aggregation induced fluorescence enhancement property and biological application thereof UNIV JILIN 2015-09-09 CN disclosed