SCHEMBL27829554

SCHEMBL27829554

O=C(c1cccs1)C(S)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.52
POLB P06746 2/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HPGDS O60760 1/20 0.50
KEAP1 Q14145 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC1 Q13547 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL19707240 0.80 CES2 (0.66) DAOPOLBCES2CES1HPGDS
SCHEMBL11496475 0.79 ALDH1A1 (0.58) DAOPOLBCES2CES1HPGDS
SCHEMBL28406515 0.79 DAO (0.52) DAOPOLBCES2CES1HPGDS
SCHEMBL21551769 0.76 POLB (0.49) DAOPOLBCES2CES1HPGDS
SCHEMBL28427974 0.76 CES2 (0.51) DAOPOLBCES2CES1HPGDS
SCHEMBL27628035 0.75 POLB (0.59) DAOPOLBCES2CES1HPGDS
SCHEMBL29291315 0.75 CES2 (0.50) DAOPOLBCES2CES1HPGDS
SCHEMBL11599066 0.72 SRC (0.50) CES2CES1ALDH1A1CYP2D6LMNA
SCHEMBL7106882 0.72 TDP1 (0.61) DAOCES2CES1ALDH1A1CYP2D6
SCHEMBL26056789 0.72 CES2 (0.66) DAOPOLBCES2CES1HPGDS

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-101918122-A Graft copolymer and composition thereof LUBRIZOL LTD 2010-12-15 CN disclosed