SCHEMBL11568567

SCHEMBL11568567

C=CCSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL170050 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1HPGDMAPT
Hydrogen Sulfide SCHEMBL11572428 0.98 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1HPGDMAPT
SCHEMBL28973497 0.98 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1HPGDMAPT
SCHEMBL28811707 0.91 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1HPGDMAPT
SCHEMBL8755108 0.87 L3MBTL1 (0.41) ALDH1A1MAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL8521887 0.83 L3MBTL1 (0.40) ALDH1A1MAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL7154447 0.82 L3MBTL1 (0.38) ALDH1A1MAPK1L3MBTL1HPGDMAPT
SCHEMBL15210205 0.82 L3MBTL1 (0.45) ALDH1A1MAPK1L3MBTL1HPGDMAPT
SCHEMBL314128 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAOA
SCHEMBL575899 0.81 HPGD (0.48) ALDH1A1MAPK1L3MBTL1HPGDMAPT

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
CN-1109679-C Dihydrobenzofuran and related compounds useful as anti-inflammatory agents UNIV VANDERBILT (US) 2003-05-28 CN disclosed
CN-1210531-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents PROCTER & GAMBLE (US) 1999-03-10 CN disclosed
US-4136041-A ANTIWEAR AND ANTIOXIDANT ADDITIVES EXXON RESEARCH & ENGINEERING CO. (US) 1979-01-23 US disclosed