SCHEMBL3404355

SCHEMBL3404355

C[Si](C)(C)c1sc(/C=C/C(=O)O)cc1C1OCCO1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TBXAS1 P24557 2/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3404357 1.00 RXRA (0.36) RXRAMAPK1KMT2AHCAR2KDM4E
SCHEMBL12919402 0.90
SCHEMBL971574 0.86 ALDH1A1 (0.35) KMT2AKDM4EALDH1A1
SCHEMBL28978883 0.82 RXRA (0.35) RXRAMAPK1KMT2AHCAR2KDM4E
SCHEMBL971575 0.80 TBXAS1 (0.34) TBXAS1
SCHEMBL974276 0.80
SCHEMBL12919411 0.72 GRM5 (0.35)
SCHEMBL3403756 0.69 HCAR2 (0.39) MAPK1KMT2AHCAR2KDM4EALDH1A1
SCHEMBL3403760 0.69 HCAR2 (0.39) MAPK1KMT2AHCAR2KDM4EALDH1A1
SCHEMBL12919400 0.66 NPC1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650287-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2650287-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-12-03 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507604-B2 Polyolefin graft copolymer and adhesive composition IDEMITSU KOSAN CO., LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed