SCHEMBL4749437

SCHEMBL4749437

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CNC[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
SLC2A4 P14672 1/20 0.36
MGLL Q99685 4/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
PARP1 P09874 1/20 0.34
FASN P49327 1/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
CYP2D6 P10635 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CXCR2 P25025 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL4749450 1.00 SLC2A1 (0.36) SLC2A1SLC2A4MGLLCA12CA1
SCHEMBL4751656 1.00 SLC2A1 (0.36) SLC2A1SLC2A4MGLLCA12CA1
SCHEMBL4749242 0.89 OPRM1 (0.35) SLC2A1SLC2A4MGLLCA12CA1
SCHEMBL4749224 0.89 OPRM1 (0.35) SLC2A1SLC2A4MGLLCA12CA1
SCHEMBL4022016 0.89 ALDH1A1 (0.38) MGLLKDM4E
SCHEMBL4018846 0.86 MGLL (0.36) MGLL
SCHEMBL13721105 0.85 SMN1; SMN2 (0.43) PARP1KMT2A
SCHEMBL4810580 0.84 NAMPT (0.30)
SCHEMBL4932866 0.84 SLC2A1 (0.34) SLC2A1SLC2A4MGLLCA12CA1
SCHEMBL4020382 0.84 SCN9A (0.33) MGLL

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed