SCHEMBL20500280

SCHEMBL20500280

CC(=O)OCC(COP(=O)(O)OCCC(N)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ IDE P14735 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HLCS P50747 7/20 0.41
▸ PLCD1 P51178 1/20 0.41
▸ HPSE Q9Y251 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ CNR2 P34972 2/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL20500226 0.86 PLCD1 (0.48) TDP1MEN1ABL1LMNAPKM
SCHEMBL486814 0.85 PLCD1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL28352827 0.84 TDP1 (0.50) TDP1MEN1ABL1LMNAPKM
SCHEMBL3614161 0.83 PLCD1 (0.59) TDP1PKMPLCD1HPSEF2
SCHEMBL487698 0.82 PLCD1 (0.44) TDP1MEN1ABL1LMNAPKM
SCHEMBL1270689 0.82 PLCD1 (0.44) TDP1MEN1ABL1LMNAPKM
SCHEMBL486900 0.81 F2 (0.53) TDP1PKMPLCD1HPSEF2
SCHEMBL2028171 0.79 PLCD1 (0.55) TDP1PKMPLCD1HPSEF2
SCHEMBL15968033 0.77 F2 (0.49) TDP1MEN1ABL1LMNAPKM
SCHEMBL20500282 0.76 PLCD1 (0.46) 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 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 disclosed
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