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SCHEMBL25564468

SCHEMBL25564468

CC(C)CC(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N(C)C(C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.41
▸ SIRT1 Q96EB6 11/20 0.41
▸ SIRT3 Q9NTG7 3/20 0.39
▸ SIRT5 Q9NXA8 4/20 0.39
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ PTGER4 P35408 1/20 0.36

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
SCHEMBL17706450 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL26560488 0.88 FAP (0.39) SIRT2SIRT1SIRT3SIRT5
SCHEMBL23189216 0.87 FAP (0.39) SIRT2SIRT1SIRT3SIRT5
SCHEMBL26140860 0.87 FAP (0.39) SIRT2SIRT1SIRT3SIRT5
SCHEMBL24584968 0.87 FAP (0.39) SIRT2SIRT1SIRT3SIRT5
SCHEMBL24774254 0.87 FAP (0.39) SIRT2SIRT1SIRT3SIRT5
SCHEMBL20043710 0.87 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL23347054 0.86 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT5
SCHEMBL17683439 0.86 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT5
SCHEMBL24540901 0.85 SIRT2 (0.36) SIRT2SIRT1SIRT3SIRT5NPY1R

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-2023083900-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-05-19 — — WO disclosed