SCHEMBL19681567

SCHEMBL19681567

COCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 5/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KLKB1 P03952 1/20 0.35
▸ FAP Q12884 3/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MAP1LC3B Q9GZQ8 1/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRND Q07001 1/20 0.35
▸ C3AR1 Q16581 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL25787504 0.94 FURIN (0.40) FURINHTTSMN1; SMN2KLKB1NPY1R
SCHEMBL15699736 0.94 FURIN (0.40) FURINHTTSMN1; SMN2KLKB1NPY1R
SCHEMBL30297062 0.93 HTT (0.41) FURINHTTSMN1; SMN2NPY1RNPY2R
SCHEMBL30988370 0.93 FURIN (0.41) FURINHTTSMN1; SMN2KLKB1C3AR1
SCHEMBL27447192 0.93 FURIN (0.39) FURINHTTSMN1; SMN2KLKB1NPY1R
SCHEMBL20705515 0.93 FURIN (0.39) FURINHTTSMN1; SMN2KLKB1NPY1R
SCHEMBL22138596 0.93 FURIN (0.39) FURINHTTSMN1; SMN2KLKB1NPY1R
SCHEMBL27213475 0.91 SIRT2 (0.36) FURINNPY1RNPY4RSIRT5
SCHEMBL19359701 0.90 FURIN (0.39) FURINHTTSMN1; SMN2FAPNPY1R
SCHEMBL27148471 0.89 FURIN (0.34) FURINHTTKLKB1FAPNPY1R

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-2017210288-A1 ANTIBODY DRUG CONJUGATES HAVING DERIVATIVES OF AMATOXIN AS THE DRUG SORRENTO THERAPEUTICS, INC. (US) 2017-12-07 — — WO disclosed
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