SCHEMBL6138549

SCHEMBL6138549

COc1cc(CC=O)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
ALDH1A1 P00352 5/20 0.47
PPARA Q07869 3/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PTGS1 P23219 2/20 0.43
CA2 P00918 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 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
SCHEMBL8419568 0.87 DRD2 (0.51) DRD2ALDH1A1CA2MEN1KMT2A
SCHEMBL15391172 0.85 DRD2 (0.51) DRD2ALDH1A1PPARAPPARGPPARD
SCHEMBL20553758 0.83 DRD2 (0.50) DRD2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6314028 0.82 DRD2 (0.38) DRD2ALDH1A1PPARAPPARGPPARD
SCHEMBL6663695 0.82 DRD2 (0.53) DRD2ALDH1A1PPARAPPARGPPARD
SCHEMBL3119147 0.82 DRD2 (0.56) DRD2ALDH1A1PPARAPPARGPPARD
SCHEMBL29565908 0.81 DRD2 (0.55) DRD2ALDH1A1PPARAPPARGPPARD
SCHEMBL30644304 0.81 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL557409 0.81 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL1635299 0.80 DRD2 (0.51) DRD2ALDH1A1PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed