SCHEMBL5015461

SCHEMBL5015461

C=C(C)C(=O)OCCSCc1ccccc1CSCCOC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
HTT P42858 3/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 4/20 0.40
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 7/20 0.37
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL7519970 0.86 CYP2C19 (0.50) THRBHTTPOLBAPEX1TDP1
SCHEMBL4447117 0.84 THRB (0.43) THRBHTTPOLBAPEX1TDP1
SCHEMBL4457186 0.82 CYP1A2 (0.40) THRBHTTPOLBAPEX1TDP1
SCHEMBL3138267 0.80 THRB (0.40) THRBHTTPOLBAPEX1TDP1
SCHEMBL3128712 0.80 THRB (0.40) THRBHTTPOLBAPEX1TDP1
SCHEMBL212008 0.79 THRB (0.55) THRBHTTPOLBAPEX1TDP1
SCHEMBL8982153 0.79 THRB (0.39) THRBHTTPOLBAPEX1TDP1
SCHEMBL2392778 0.78 MTNR1A (0.50) THRBHTTPOLBAPEX1TDP1
SCHEMBL673043 0.77 THRB (0.53) THRBHTTPOLBAPEX1TDP1
SCHEMBL670913 0.77 THRB (0.53) THRBHTTPOLBAPEX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed