SCHEMBL448069

SCHEMBL448069

O=C(OCc1ccccc1)N(S)S.[Zn]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 3/20 0.49
HCAR2 Q8TDS4 1/20 0.49
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL2773501 0.98 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10994855 0.85 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL668388 0.84 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL22262931 0.83 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8604257 0.81 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7810375 0.80 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8167513 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28682509 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL17434764 0.79 TDP1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL11692494 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624988-A Process for the production of polymer-bound rubber chemicals RHEIN CHEMIE RHEINAU GMBH 1997-04-29 US claimed
EP-2423253-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2014-04-30 EP disclosed
US-20120065325-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2012-03-15 US disclosed
EP-2423253-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE Bridgestone Corporation (JP) 2012-02-29 EP disclosed
WO-2009019554-A1 GLOVE AND PROCESS FOR MANUFACTURING THE SAME AMPELOS (FR) 2009-02-12 WO disclosed
EP-2020427-A1 Glove and process for manufacturing the same Ampelos (MY) 2009-02-04 EP disclosed
EP-1445277-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING THE SAME BRIDGESTONE CORP (JP) 2009-01-07 EP disclosed
US-7060757-B2 Rubber composition and pneumatic tire using the same BRIDGESTONE CORPORATION (JP) 2006-06-13 US disclosed
US-20040220351-A1 Rubber composition and pneumatic tire using the same BRIDGESTONE CORPORATION 2004-11-04 US disclosed
EP-1445277-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2004-08-11 EP disclosed
US-5624988-A Process for the production of polymer-bound rubber chemicals RHEIN CHEMIE RHEINAU GMBH 1997-04-29 US disclosed
CN-85108617-A Rubber product and vulcanization process 1986-04-10 CN disclosed