SCHEMBL5776438

SCHEMBL5776438

O=CC(C(=O)c1cccs1)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.62
CES1 P23141 2/20 0.62
KEAP1 Q14145 1/20 0.62
DAO P14920 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HDAC1 Q13547 1/20 0.43
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGDS O60760 1/20 0.41
GSK3B P49841 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL18108719 0.80 CES2 (0.44) CES2CES1KEAP1DAONPC1
SCHEMBL6250431 0.77 CES2 (1.00) CES2CES1KEAP1DAONPC1
SCHEMBL22721136 0.76 CES2 (0.54) CES2CES1KEAP1DAONPC1
SCHEMBL16458740 0.76 CES2 (0.57) CES2CES1KEAP1DAONPC1
SCHEMBL29951402 0.75 RAB9A (0.51) CES2CES1KEAP1DAONPC1
SCHEMBL22244933 0.75 ALOX5 (0.41) CES2CES1KEAP1NPC1RAB9A
SCHEMBL29254348 0.75 CES2 (0.40) CES2CES1KEAP1DAONPC1
SCHEMBL1200971 0.75 HPGD (0.41) CES2CES1KEAP1NPC1RAB9A
SCHEMBL27501702 0.75 CES2 (0.40) CES2CES1KEAP1DAOALDH1A1
SCHEMBL11400057 0.74 CES2 (0.51) CES2CES1KEAP1DAONPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358190-B1 AMORPHOUS ORGANIC 1,3,2-DIOXABORINE LUMINOPHORES, METHOD FOR THE PRODUCTION AND USE THEREOF OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2006-04-26 EP disclosed
EP-1358190-A1 AMORPHOUS ORGANIC 1,3,2-DIOXABORINE LUMINOPHORES, METHOD FOR THE PRODUCTION AND USE THEREOF Siemens Aktiengesellschaft (DE) 2003-11-05 EP disclosed
WO-2002064600-A1 AMORPHOUS ORGANIC 1,3,2-DIOXABORINE LUMINOPHORES, METHOD FOR THE PRODUCTION AND USE THEREOF SIEMENS AKTIENGESELLSCHAFT (DE) 2002-08-22 WO disclosed