SCHEMBL15036620

SCHEMBL15036620

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCSSCCC(=O)NCc1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.65
▸ CA1 P00915 8/20 0.65
▸ CA2 P00918 8/20 0.65
▸ CA9 Q16790 8/20 0.65
▸ TDP1 Q9NUW8 5/20 0.54
▸ PKM P14618 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ IDE P14735 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RIN1 Q13671 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ITGB1 P05556 1/20 0.51
▸ ITGA4 P13612 1/20 0.51
▸ PLCD1 P51178 1/20 0.47

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
SCHEMBL21011827 1.00 CA12 (0.65) CA12CA1CA2CA9TDP1
SCHEMBL21011843 1.00 CA12 (0.65) CA12CA1CA2CA9TDP1
SCHEMBL19257250 1.00 CA12 (0.65) CA12CA1CA2CA9TDP1
SCHEMBL22290084 0.87 TDP1 (0.67) CA12CA1CA2CA9TDP1
SCHEMBL26490214 0.85 CA12 (0.78) CA12CA1CA2CA9TDP1
SCHEMBL10062839 0.85 CA12 (0.78) CA12CA1CA2CA9TDP1
SCHEMBL4315244 0.85 CA12 (0.78) CA12CA1CA2CA9TDP1
SCHEMBL24500735 0.85 TDP1 (0.69) CA12CA1CA2CA9TDP1
SCHEMBL13714460 0.85 TDP1 (0.69) CA12CA1CA2CA9TDP1
SCHEMBL14028793 0.84 TDP1 (0.62) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9733240-B2 General strategy for antibody library screening MERCK PATENTS GMBH (DE) 2017-08-15 — — US disclosed
US-20140357514-A1 GENERAL STRATEGY FOR ANTIBODY LIBRARY SCREENING MERCK PATENT GMBH (DE) 2014-12-04 — — US disclosed
WO-2013087215-A1 GENERAL STRATEGY FOR ANTIBODY LIBRARY SCREENING MERCK PATENT GMBH (DE) 2013-06-20 — — WO disclosed
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