SCHEMBL28298433

SCHEMBL28298433

CCCCCCCCCCCCCCCC(=O)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.76
TDP1 Q9NUW8 6/20 0.74
MEN1 O00255 1/20 0.65
ABL1 P00519 1/20 0.65
LMNA P02545 1/20 0.65
PKM P14618 1/20 0.65
IDE P14735 1/20 0.65
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65
RIN1 Q13671 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CNR1 P21554 2/20 0.53
CNR2 P34972 2/20 0.52
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TPSAB1 Q15661 1/20 0.50
HPSE Q9Y251 1/20 0.49
CA12 O43570 1/20 0.48

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
SCHEMBL28157478 0.96 TDP1 (0.76) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21114407 0.93 TDP1 (0.81) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21176811 0.93 TDP1 (0.81) HLCSTDP1MEN1ABL1LMNA
SCHEMBL28283183 0.93 TDP1 (0.81) HLCSTDP1MEN1ABL1LMNA
SCHEMBL28119479 0.93 TDP1 (0.81) HLCSTDP1MEN1ABL1LMNA
SCHEMBL31419369 0.92 HLCS (0.64) HLCSTDP1MEN1ABL1LMNA
SCHEMBL22265330 0.91 TDP1 (0.79) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10389671 0.90 HLCS (0.71) HLCSTDP1MEN1ABL1LMNA
SCHEMBL7267179 0.90 HLCS (0.71) HLCSTDP1MEN1ABL1LMNA
SCHEMBL2322596 0.90 HLCS (0.71) HLCSTDP1MEN1ABL1LMNA

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
CN-106841368-B Method for measuring change rate of palmitoylation rate of protein in living cell 苏州大学 2019-05-24 CN disclosed