SCHEMBL24831925

SCHEMBL24831925

CC(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)CCCCCN2C(=O)CC(C)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 10/20 0.37
▸ SIRT1 Q96EB6 9/20 0.37
▸ OPRL1 P41146 4/20 0.35
▸ SIRT3 Q9NTG7 5/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA5 P08648 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
SCHEMBL18811640 0.91 NPY5R (0.39) SIRT2SIRT1OPRL1SIRT3
SCHEMBL19522921 0.90 FAP (0.41) SIRT2SIRT1OPRL1SIRT3SIRT5
SCHEMBL16904950 0.90 FAP (0.41) SIRT2SIRT1OPRL1SIRT3SIRT5
SCHEMBL19733545 0.90 FAP (0.41) SIRT2SIRT1OPRL1SIRT3SIRT5
SCHEMBL13477994 0.90 FAP (0.41) SIRT2SIRT1OPRL1SIRT3SIRT5
SCHEMBL18177084 0.90 FAP (0.41) SIRT2SIRT1OPRL1SIRT3SIRT5
SCHEMBL22969857 0.89 NPY4R (0.41) SIRT2SIRT1OPRL1ITGB1ITGA5
SCHEMBL22624856 0.89 FAP (0.40) SIRT2SIRT1OPRL1SIRT3SIRT5
SCHEMBL22970116 0.87 MAP1LC3B (0.40) SIRT2SIRT1OPRL1SIRT3SIRT5
SCHEMBL22969940 0.86 OPRL1 (0.42) SIRT2SIRT1OPRL1SIRT5ITGB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024052685-A1 CYTOTOXIC IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND THEIR USE IN THERAPY MyricX Pharma Limited (GB) 2024-03-14 — — WO disclosed
EP-3607996-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2023-01-04 — — EP disclosed
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