SCHEMBL1670890

SCHEMBL1670890

CCCCOC(=O)NCc1ccc(CNC(=O)N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HRH3 Q9Y5N1 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
TPSAB1 Q15661 2/20 0.44
PLAU P00749 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
PREP P48147 2/20 0.43
PRSS1 P07477 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
F2 P00734 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL955614 0.86 L3MBTL1 (0.49) SIGMAR1L3MBTL1MAPTPREPALDH1A1
SCHEMBL1668952 0.85 SIGMAR1 (0.58) KDM4EHRH3SIGMAR1TPSAB1PLAU
SCHEMBL12801427 0.85 PPID (0.53) KDM4EHRH3TPSAB1PLAUPREP
SCHEMBL1668562 0.85 TPSAB1 (0.58) KDM4EHRH3TPSAB1PLAUPREP
SCHEMBL1668508 0.82 PREP (0.52) KDM4EHRH3TPSAB1PLAUPREP
SCHEMBL952100 0.81 ALDH1A1 (0.52) PREPALDH1A1TSHR
SCHEMBL11263011 0.80 PREP (0.59) SIGMAR1PKML3MBTL1PREPALDH1A1
SCHEMBL7159251 0.80 PREP (0.59) SIGMAR1PKML3MBTL1PREPALDH1A1
SCHEMBL3806762 0.78 EPHX2 (0.56) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2586953 0.78 L3MBTL1 (0.61) L3MBTL1MAPTPREPALDH1A1TSHR

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
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed