SCHEMBL22769273

SCHEMBL22769273

O=C(O)CCCCC(=O)NCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.69
▸ TDP1 Q9NUW8 5/20 0.67
▸ PKM P14618 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ ABL1 P00519 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ IDE P14735 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ RIN1 Q13671 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ F2 P00734 1/20 0.63
▸ PRSS1 P07477 1/20 0.63
▸ PRSS2 P07478 1/20 0.63
▸ PRSS3 P35030 1/20 0.63
▸ TPSAB1 Q15661 1/20 0.63
▸ PLCD1 P51178 1/20 0.59
▸ HSP90AB1 P08238 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54

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
SCHEMBL1300276 0.97 TDP1 (0.68) FOLH1TDP1PKMMEN1ABL1
SCHEMBL23334534 0.97 TDP1 (0.68) FOLH1TDP1PKMMEN1ABL1
SCHEMBL16123471 0.97 TDP1 (0.68) FOLH1TDP1PKMMEN1ABL1
SCHEMBL30504309 0.95 FOLH1 (0.70) FOLH1TDP1PKMMEN1ABL1
SCHEMBL8131388 0.94 FOLH1 (0.71) FOLH1TDP1PKMMEN1ABL1
SCHEMBL13497879 0.93 FOLH1 (0.76) FOLH1TDP1PKMMEN1ABL1
SCHEMBL12551857 0.93 TDP1 (0.77) FOLH1TDP1PKMMEN1ABL1
SCHEMBL565248 0.93 TDP1 (0.77) FOLH1TDP1PKMMEN1ABL1
SCHEMBL22975316 0.93 TDP1 (0.77) FOLH1TDP1PKMMEN1ABL1
SCHEMBL10171661 0.93 TDP1 (0.77) FOLH1TDP1PKMMEN1ABL1

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-2020246602-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE 大塚製薬株式会社 2020-12-10 — — WO disclosed
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