SCHEMBL5012462

SCHEMBL5012462

C=CCC1(C(C)CCCCCCCCCC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ LMNA P02545 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ ELANE P08246 2/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ GRM2 Q14416 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ POLB P06746 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
SCHEMBL5013915 0.78 MMP9 (0.48) KDM4EMEN1KMT2ANPSR1MMP9
SCHEMBL1929131 0.76 MMP9 (0.40) MEN1KMT2ANPSR1MMP9CYP3A4
SCHEMBL1928867 0.76 MMP9 (0.40) MEN1KMT2ANPSR1MMP9CYP3A4
SCHEMBL1927952 0.76 MMP9 (0.40) MEN1KMT2ANPSR1MMP9CYP3A4
SCHEMBL1927659 0.76 MMP9 (0.40) MEN1KMT2ANPSR1MMP9CYP3A4
SCHEMBL2046891 0.74 KDM4E (0.49) KDM4EPKMMEN1KMT2ANPSR1
SCHEMBL2049074 0.74 KDM4E (0.49) KDM4EPKMMEN1KMT2ANPSR1
SCHEMBL2049075 0.74 KDM4E (0.49) KDM4EPKMMEN1KMT2ANPSR1
SCHEMBL2046888 0.74 KDM4E (0.49) KDM4EPKMMEN1KMT2ANPSR1
SCHEMBL2048538 0.74 KDM4E (0.49) KDM4EPKMMEN1KMT2ANPSR1

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-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 — — US disclosed
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