SCHEMBL8950417

SCHEMBL8950417

CCOC(=O)C1=Cc2ccsc2S(=O)(=O)N1c1cccc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 5/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 2/20 0.39
ELANE P08246 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
THRB P10828 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL9058447 0.78 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10ALOX15SMN1; SMN2
SCHEMBL8950076 0.77 FEN1 (0.46) ALDH1A1HPGDHSD17B10MAPTMAPK1
SCHEMBL8950426 0.74 TSHR (0.39) ALDH1A1HSD17B10ALOX15SMN1; SMN2MAPT
SCHEMBL8950389 0.72 PTGER4 (0.34) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL8950606 0.68 CA2 (0.36) ALDH1A1SMN1; SMN2MAPTRXFP1NPC1
SCHEMBL1248647 0.67 SMN1; SMN2 (0.65) ALDH1A1HSD17B10SMN1; SMN2MAPTMAPK1
SCHEMBL15005212 0.66 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10ALOX15SMN1; SMN2
SCHEMBL4958802 0.64 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10ALOX15SMN1; SMN2
SCHEMBL9058117 0.64 FEN1 (0.47) ALDH1A1HPGDHSD17B10MAPTMAPK1
SCHEMBL30007326 0.63 NOTUM (0.71) ALDH1A1HPGDHSD17B10ALOX15SMN1; SMN2

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
US-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed