SCHEMBL4837138

SCHEMBL4837138

CC(C)Oc1ccc(C(CO)N(CCO)Cc2ccc(OCc3ccccc3)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.42
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ALOX5 P09917 3/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPOR P19235 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKCD Q05655 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
CSNK2A1 P68400 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL4775430 0.83 ALDH1A1 (0.44) BCHEALOX5PTGS1PTGS2L3MBTL1
SCHEMBL2104742 0.76 CENPE (0.46) ALOX5PTGS1PTGS2L3MBTL1MEN1
SCHEMBL5569175 0.73 ALOX5 (0.47) ALOX5LTA4H
SCHEMBL5570351 0.73 BCHE (0.55) BCHEMEN1KMT2A
SCHEMBL7608457 0.73 BCHE (0.41) BCHEALOX5PTGS1PTGS2L3MBTL1
SCHEMBL4718727 0.72 CENPE (0.42) ALOX5PTGS1PTGS2L3MBTL1MEN1
SCHEMBL7606237 0.71 NPC1 (0.39) L3MBTL1
SCHEMBL4775432 0.71 ALDH1A1 (0.46) BCHEL3MBTL1MEN1KMT2A
SCHEMBL7608227 0.71 PTGS1 (0.40) BCHEALOX5PTGS1PTGS2L3MBTL1
SCHEMBL4718071 0.70 CENPE (0.49) ALOX5PTGS1PTGS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed