SCHEMBL6201216

SCHEMBL6201216

CCCN(CC)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA2 P00918 3/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 3/20 0.36
ALDH2 P05091 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MC4R P32245 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL304728 0.90 CA12 (0.48) CA12CA9CA2TSHRMAPK1
SCHEMBL16091402 0.86 CA12 (0.55) CA12CA9CA2TSHRCA1
SCHEMBL514695 0.85
SCHEMBL22294388 0.85 CA12 (0.48) CA12CA9CA2CA1HPGD
SCHEMBL15473875 0.84 CHRM2 (0.40) CA12CA9CA2CA1ALDH1A1
SCHEMBL30205038 0.83 MGLL (0.48) CA12CA9CA2CA1MMP1
SCHEMBL24383835 0.82 CA12 (0.36) CA12CA9CA2CA1ALDH1A1
SCHEMBL28525049 0.82 MEN1 (0.36) CA12CA9TSHRCA1ALDH1A1
SCHEMBL10296020 0.80 KMT2A (0.52) CA12TSHRALDH1A1MEN1KMT2A
SCHEMBL25570266 0.80 CA12 (0.40) CA12CA9CA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2014144169-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 WO disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
EP-0513387-B1 THIAZOLE DERIVATIVES AS ACTIVE OXYGEN INHIBITORS OTSUKA PHARMA CO LTD (JP) 2000-03-01 EP disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed