SCHEMBL6583757

SCHEMBL6583757

COc1cc(CCCC2NC(=O)OC2=O)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.43
AKR1B1 P15121 1/20 0.40
ALOX5 P09917 3/20 0.39
CYP3A4 P08684 2/20 0.37
MET P08581 3/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL6583033 0.86 MTNR1A (0.48) ALOX5CYP3A4METGAA
SCHEMBL6581977 0.83 MTNR1A (0.47) ALOX5CYP3A4METTUBB4ATUBB
SCHEMBL6583581 0.79 SMN1; SMN2 (0.42) GAA
SCHEMBL6581895 0.79 TAAR1 (0.50) ALOX5CYP3A4GAA
SCHEMBL8889117 0.77 GAA (0.42) GAA
SCHEMBL8340304 0.77 TNKS2 (0.43) TNKS2AKR1B1ALOX5METTUBB4A
SCHEMBL6584139 0.76 CYP3A4 (0.49) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7165617 0.75 ESR1 (0.38) CYP3A4
SCHEMBL6583749 0.74 PPARG (0.47) TNKS2AKR1B1ALOX5CYP3A4MET
SCHEMBL6584720 0.73 MTNR1A (0.52) CYP3A4

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed