SCHEMBL9619784

SCHEMBL9619784

COc1c(O)cc(C(=O)c2ccccc2)c(S(=O)(=O)O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
MAPT P10636 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
HTT P42858 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH1 P35367 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 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
SCHEMBL2474578 0.83 MAPT (0.60) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL27976994 0.83 MAPT (0.60) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL744481 0.81 MAPT (0.54) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL27864162 0.80 LMNA (0.60) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL26110853 0.79 MAPT (0.46) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL28887754 0.79 MAPT (0.48) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL480277 0.77 MAPT (0.60) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL27696368 0.77 MAPT (0.49) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL11320168 0.77 MAPT (0.60) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL27864675 0.77 MAPT (0.60) LMNAMAPTKMT2AALDH1A1HPGD

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
JP-4368320-A None JP disclosed
JP-H04368320-A MAILARD REACTION INHIBITOR FOR COSMETICS AND COSMETIC MOMOTANI JIYUNTENKAN:KK 1992-12-21 JP disclosed