SCHEMBL27849533

SCHEMBL27849533

O=POC[C@H]1O[C@H](OC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.56
▸ MEN1 O00255 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 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
▸ FGF1 P05230 1/20 0.47
▸ FGF2 P09038 1/20 0.47
▸ VEGFA P15692 1/20 0.47
▸ HPSE Q9Y251 1/20 0.47
▸ HLCS P50747 8/20 0.46
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HINT1 P49773 1/20 0.40

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
SCHEMBL22830876 0.88 TDP1 (0.55) TDP1MEN1ABL1LMNAPKM
SCHEMBL17727882 0.83 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL22290232 0.76 TDP1 (0.82) TDP1MEN1ABL1LMNAPKM
SCHEMBL20500199 0.76 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL20280629 0.76 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL29994754 0.75 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL27775652 0.75 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL27832339 0.75 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL21176811 0.75 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL21114407 0.75 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104666246-A Orally Bioavailable Lipid-based Constructs SDG INC AN OHIO CORPRATION 2015-06-03 — — CN claimed
CN-101917971-A Orally bioavailable lipid-based structures SDG INC AN OHIO CORP 2010-12-15 — — CN claimed
CN-104666246-A Orally Bioavailable Lipid-based Constructs SDG INC AN OHIO CORPRATION 2015-06-03 — — CN disclosed
CN-101917971-A Orally bioavailable lipid-based structures SDG INC AN OHIO CORP 2010-12-15 — — CN disclosed
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