SCHEMBL17870860

SCHEMBL17870860

CCC(CO)(CO)CO.O=C(O)CCc1ccsc1.O=C(O)CCc1ccsc1.O=C(O)CCc1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KEAP1 Q14145 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
LPAR1 Q92633 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
FFAR1 O14842 2/20 0.38
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 1/20 0.37
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL599876 0.84 KEAP1 (0.54) DRD2DRD3KEAP1GRM2GRM3
Hydrochloric Acid SCHEMBL27428710 0.82 KEAP1 (0.52) DRD2DRD3KEAP1GRM2GRM3
Trifluoroacetic Acid SCHEMBL27485856 0.80 GRM2 (0.47) DRD2DRD3KEAP1GRM2GRM3
SCHEMBL8357079 0.74 GRM2 (0.46) DRD2DRD3GRM2GRM3TAAR1
SCHEMBL600268 0.74 SMN1; SMN2 (0.57) GRM2GRM3TAAR1SLC1A3SLC1A2
SCHEMBL12752459 0.74 DRD2 (0.42) DRD2DRD3GRM2GRM3TAAR1
SCHEMBL4369059 0.73 MAPT (0.56) TAAR1
SCHEMBL12530212 0.73 IAPP (0.50) DRD2DRD3GRM2GRM3TAAR1
SCHEMBL7245722 0.72 GAA (0.54) LMNAALDH1A1
SCHEMBL11617371 0.72 GAA (0.54) LMNAALDH1A1

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
CN-116154271-A Rapid photocuring electrolyte composition and preparation method and application thereof 杭州华宇新能源研究院有限公司 2023-05-23 CN disclosed
WO-2016102573-A1 USE OF A THIOLESTER AS A HARDENER FOR EPOXIDE ADHESIVES HENKEL AG & CO. KGAA (DE) 2016-06-30 WO disclosed