SCHEMBL4023656

SCHEMBL4023656

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(C(=O)O)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.38
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
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SLC2A1 P11166 1/20 0.34
SLC2A4 P14672 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4023658 1.00 MGLL (0.38) MGLLCA12CA1CA2CA6
SCHEMBL4025189 0.91 MGLL (0.38) MGLLKMT2AMEN1SLC2A1SLC2A4
SCHEMBL4025192 0.91 MGLL (0.38) MGLLKMT2AMEN1SLC2A1SLC2A4
SCHEMBL4019096 0.87 MGLL (0.35) MGLLKMT2AMEN1SLC2A1SLC2A4
SCHEMBL4019088 0.87 MGLL (0.35) MGLLKMT2AMEN1SLC2A1SLC2A4
SCHEMBL4749182 0.86 MGLL (0.39) MGLLKMT2AMEN1
SCHEMBL4805388 0.86 MGLL (0.39) MGLLKMT2AMEN1
SCHEMBL4751652 0.86 MGLL (0.39) MGLLKMT2AMEN1
SCHEMBL4805380 0.86 MGLL (0.39) MGLLKMT2AMEN1
SCHEMBL4751581 0.86 KMT2A (0.46) MGLLKMT2AMEN1ALDH1A1

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed