SCHEMBL10708802

SCHEMBL10708802

Cc1ccc(C(=S)C(O)c2ccc(C)cc2)cc1.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MYC P01106 1/20 0.34
HCRTR2 O43614 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GAA P10253 2/20 0.32
SNCA P37840 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10780510 0.88 SNCA (0.33) CYP2D6MAPK1NPC1RAB9ANPSR1
SCHEMBL10508258 0.85 CES2 (0.46) CYP2D6MAPK1NPSR1MYCHCRTR2
SCHEMBL11186390 0.79 ALDH1A1 (0.39) NPSR1KEAP1NFE2L2ALDH1A1CES2
SCHEMBL29974495 0.76 ALDH1A1 (0.49) CYP2D6MAPK1L3MBTL1MYCCA1
SCHEMBL216825 0.76 ALDH1A1 (0.49) CYP2D6MAPK1L3MBTL1MYCCA1
SCHEMBL10505589 0.75 CES2 (0.44) NPC1RAB9AL3MBTL1CA1CA2
Water SCHEMBL5512181 0.75 SMN1; SMN2 (0.47) CYP2D6MAPK1L3MBTL1MYCHCRTR2
Isopropyl Alcohol SCHEMBL28113936 0.74 MYC (0.47) NPSR1MYCCA1CA2CA9
Toluene SCHEMBL180605 0.74 MYC (0.47) MYCHCRTR2CA1CA2CA9
Mandelic Acid SCHEMBL16499230 0.74 LMNA (0.58) CYP2D6MAPK1NPSR1L3MBTL1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251465-A2 Light activatable anaerobic composition containing latent sulfonic acid source LOCTITE CORPORATION (US) 1988-01-07 EP claimed
EP-0251465-A2 Light activatable anaerobic composition containing latent sulfonic acid source LOCTITE CORPORATION (US) 1988-01-07 EP disclosed
EP-0249365-A2 Photocatalysts for vinyl compounds activated by an electron donating hetero atom LOCTITE (IRELAND) Ltd. (IE) 1987-12-16 EP disclosed
US-4708926-A SULFONIC ESTERS OF A-HYDROXYCARBONYL COMPOUNDS CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
US-4636575-A Masked curing catalyst for acid-curable compositions CIBA-GEIGY CORPORATION (US) 1987-01-13 US disclosed
US-4510290-A LATENCY; LOW-TEMPERATURE CURING BY SHORTWAVE RADIATION; INKS, LACQUERS CIBA GEIGY CORPORATION (US) 1985-04-09 US disclosed