SCHEMBL26508156

SCHEMBL26508156

CC(C)(C)OC(=O)NCCCCCNC(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ CA12 O43570 4/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ MAN2B1 O00754 1/20 0.42
▸ FPR3 P25089 4/20 0.42
▸ FPR2 P25090 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PRCP P42785 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 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
SCHEMBL26508148 1.00 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL26508409 1.00 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL11742492 0.81 PRCP (0.61) PRCPEPHX1
SCHEMBL9000841 0.81 PRCP (0.61) PRCPEPHX1
SCHEMBL7510217 0.81 PRCP (0.61) PRCPEPHX1
SCHEMBL7510214 0.81 PRCP (0.61) PRCPEPHX1
SCHEMBL11853350 0.81 PRCP (0.61) PRCPEPHX1
SCHEMBL11840759 0.81 PRCP (0.61) PRCPEPHX1
SCHEMBL7519164 0.81 SMN1; SMN2 (0.49) MEN1GAAKMT2APRCP
SCHEMBL7519156 0.81 SMN1; SMN2 (0.49) MEN1GAAKMT2APRCP

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-2023195475-A1 METHOD FOR CONTROLLING PARASITIC PLANTS 味の素株式会社 2023-10-12 — — WO disclosed
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