SCHEMBL31123880

SCHEMBL31123880

C=CCOC(=O)NCCCC[C@H](NC(=O)OC(=O)C1CCC1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.40
▸ SIRT2 Q8IXJ6 10/20 0.38
▸ SIRT1 Q96EB6 9/20 0.38
▸ SIRT3 Q9NTG7 3/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ TGM2 P21980 2/20 0.35
▸ PLG P00747 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL25332972 0.82 SIRT5 (0.40) SIRT5SIRT2SIRT1SIRT3
SCHEMBL16847608 0.80 MAPT (0.49) SIRT5SIRT2SIRT1SIRT3TGM2
SCHEMBL19017845 0.80 MAPT (0.49) SIRT5SIRT2SIRT1SIRT3TGM2
SCHEMBL31123853 0.80 KLKB1 (0.42) SIRT2SIRT1KLKB1PLG
SCHEMBL30468998 0.80 SIRT2 (0.42) SIRT5SIRT2SIRT1SIRT3TGM2
SCHEMBL18100002 0.79 SIRT2 (0.44) SIRT5SIRT2SIRT1SIRT3TGM2
SCHEMBL5550454 0.79 KMT2A (0.46) SIRT5SIRT2SIRT1SIRT3
SCHEMBL5550449 0.79 KMT2A (0.46) SIRT5SIRT2SIRT1SIRT3
SCHEMBL17661281 0.77 SIRT2 (0.50) SIRT2SIRT1SIRT3TGM2
SCHEMBL5545902 0.77 ANPEP (0.46) TGM2

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-118647407-A Antibody conjugated chemical degradation inducers and methods thereof 基因泰克公司 2024-09-13 — — CN disclosed
Send feedback