SCHEMBL7983685

SCHEMBL7983685

CCOc1ccccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.65
HSD17B10 Q99714 3/20 0.59
MAPK1 P28482 2/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALOX15 P16050 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 2/20 0.52
HPGD P15428 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KCNMA1 Q12791 1/20 0.51

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
SCHEMBL7974566 0.88 HCRTR1 (0.65) HCRTR1HSD17B10MAPK1MAPTGAA
SCHEMBL7991086 0.87 ALDH1A1 (0.56) HCRTR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL25788178 0.84 KMT2A (0.62) HCRTR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL7984835 0.84 HCRTR1 (0.60) HCRTR1HSD17B10MAPK1MAPTGAA
SCHEMBL30744822 0.82 CTSD (0.62) HSD17B10MAPK1MAPTGAAALDH1A1
SCHEMBL2169790 0.82 CTSD (0.62) HSD17B10MAPK1MAPTGAAALDH1A1
SCHEMBL22067283 0.81 KCNMA1 (0.48) HCRTR1HSD17B10KDM4EKCNK3KCNK9
SCHEMBL29763776 0.80 HCRTR1 (0.73) HCRTR1HSD17B10MAPK1MAPTGAA
SCHEMBL6400854 0.80 HCRTR1 (0.73) HCRTR1HSD17B10MAPK1MAPTGAA
SCHEMBL2358299 0.80 HCRTR1 (0.73) HCRTR1HSD17B10MAPK1MAPTGAA

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
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed