SCHEMBL9619909

SCHEMBL9619909

COc1ccc(C(=O)c2cc(S(=O)(=O)O)c(OC)cc2S(=O)(=O)O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 5/20 0.57
KMT2A Q03164 5/20 0.57
LMNA P02545 4/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 4/20 0.56
HPGD P15428 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP1A2 P05177 2/20 0.56
PGR P06401 2/20 0.56
SLC6A2 P23975 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
AR P10275 1/20 0.56
CHRM1 P11229 1/20 0.56
ALOX15 P16050 1/20 0.56
TBXA2R P21731 1/20 0.56
ADRA1A P35348 1/20 0.56
HIF1A Q16665 1/20 0.56
MAPK1 P28482 4/20 0.51

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
SCHEMBL30433307 0.93 MAPT (0.66) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL414485 0.93 MAPT (0.66) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL10491875 0.92 MAPT (0.64) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL29466728 0.92 MAPT (0.64) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL10491558 0.92 MAPT (0.64) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL31202078 0.92 MAPT (0.64) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL29967586 0.92 MAPT (0.64) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL345162 0.92 MAPT (0.64) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL6054787 0.92 MAPT (0.64) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL6334068 0.88 NPC1 (0.73) NPC1RAB9AMAPTKMT2ALMNA

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