SCHEMBL20500199

SCHEMBL20500199

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.58
▸ MDK P21741 4/20 0.56
▸ HPSE Q9Y251 2/20 0.52
▸ FGF1 P05230 1/20 0.52
▸ FGF2 P09038 1/20 0.52
▸ VEGFA P15692 1/20 0.52
▸ MAPK1 P28482 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ IDE P14735 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RIN1 Q13671 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HLCS P50747 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 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
SCHEMBL20280629 1.00 TDP1 (0.58) TDP1MDKHPSEFGF1FGF2
Biotin SCHEMBL1270496 0.85 TDP1 (0.61) TDP1MDKHPSEFGF1FGF2
Biotin SCHEMBL2510950 0.85 TDP1 (0.61) TDP1MDKHPSEFGF1FGF2
SCHEMBL16264872 0.82 MDK (0.75) TDP1MDKHPSEFGF1FGF2
SCHEMBL18653674 0.82 MDK (0.75) TDP1MDKHPSEFGF1FGF2
SCHEMBL17727882 0.77 TDP1 (0.67) TDP1HPSEFGF1FGF2VEGFA
SCHEMBL27849533 0.76 TDP1 (0.56) TDP1HPSEFGF1FGF2VEGFA
Biotin SCHEMBL1270776 0.75 TDP1 (0.72) TDP1MDKHPSEFGF1FGF2
SCHEMBL10047674 0.75 TDP1 (1.00) TDP1HPSEMAPK1MEN1ABL1
SCHEMBL20844951 0.75 TDP1 (1.00) TDP1HPSEMAPK1MEN1ABL1

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-2018169954-A1 LIPID-BASED NANOPARTICLES WITH ENHANCED STABILITY SDG, INC. (US) 2018-09-20 — — WO claimed
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