SCHEMBL213835

SCHEMBL213835

O=C(O)CCCCOC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NOTUM Q6P988 1/20 0.46
PPARA Q07869 3/20 0.46
LTB4R Q15722 6/20 0.43
EGLN1 Q9GZT9 1/20 0.43
WNT3A P56704 1/20 0.43
CHEK1 O14757 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
CTSK P43235 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL213605 0.99 KDM4E (0.46) KDM4EALDH1A1NOTUMPPARALTB4R
SCHEMBL215046 0.96 ALDH1A1 (0.48) KDM4EALDH1A1NOTUMPPARALTB4R
SCHEMBL213815 0.86 ABL1 (0.41) LTB4REGLN1CYSLTR2CYSLTR1
SCHEMBL213675 0.85 NOTUM (0.49) KDM4EALDH1A1NOTUMWNT3ACHEK1
SCHEMBL2837602 0.84 NOTUM (0.46) KDM4EALDH1A1NOTUMPPARAWNT3A
SCHEMBL213202 0.82 NOTUM (0.46) KDM4EALDH1A1NOTUMWNT3ACHEK1
SCHEMBL212870 0.82 NOTUM (0.46) KDM4EALDH1A1NOTUMWNT3ACHEK1
SCHEMBL2841379 0.80 CTSK (0.43) KDM4EALDH1A1NOTUMEGLN1WNT3A
SCHEMBL214063 0.79 NOTUM (0.47) KDM4EALDH1A1NOTUMWNT3ACHEK1
SCHEMBL15482046 0.77 KDM4E (0.61) KDM4EALDH1A1NOTUMEGLN1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed