SCHEMBL9903115

SCHEMBL9903115

C=CC(=O)OCc1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
THRB P10828 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL9214296 0.83 THRB (0.47) SLC1A3SLC1A2SLC1A1THRBALDH1A1
SCHEMBL23662058 0.82 TSHR (0.51) SLC1A3SLC1A2SLC1A1THRBCYP1A2
SCHEMBL23661935 0.82 TSHR (0.51) SLC1A3SLC1A2SLC1A1THRBCYP1A2
SCHEMBL13788676 0.80 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1THRBCYP1A2
SCHEMBL5794986 0.80 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1THRBCYP1A2
SCHEMBL7270612 0.80 GSTP1 (0.46) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C9
SCHEMBL2556244 0.79 HCAR2 (0.50) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL7652109 0.77 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1THRBCYP1A2
SCHEMBL13044441 0.77 ALDH1A1 (0.55) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C9
SCHEMBL13170592 0.77 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1THRBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076288-A1 COMPOSITE COMPRISING NANOPARTICLES AND METHOD OF MAKING NANOPARTICLES UNIVERSITE DE LIEGE (BE) 2012-06-14 WO claimed
US-20210221933-A1 CONDUCTIVE POLYMER MATERIAL AND USE THEREOF ETERNAL MATERIALS CO., LTD. (TW) 2021-07-22 US disclosed
CN-108707212-A A kind of controllable method for preparing of soluble conjugated polymer nano-particle 上海交通大学 2018-10-26 CN disclosed
WO-2012076288-A1 COMPOSITE COMPRISING NANOPARTICLES AND METHOD OF MAKING NANOPARTICLES UNIVERSITE DE LIEGE (BE) 2012-06-14 WO disclosed
EP-2462898-A1 Composite comprising nanoparticles and method for making nanoparticles Université de Liège (BE) 2012-06-13 EP disclosed