SCHEMBL31305148

SCHEMBL31305148

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.54
▸ KLK5 Q9Y337 2/20 0.54
▸ MAPT P10636 1/20 0.53
▸ SIRT5 Q9NXA8 3/20 0.53
▸ SIRT2 Q8IXJ6 8/20 0.53
▸ SIRT1 Q96EB6 7/20 0.53
▸ SIRT3 Q9NTG7 3/20 0.53

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
SCHEMBL17039831 0.92 SIRT5 (0.61) KLK7KLK5MAPTSIRT5SIRT2
SCHEMBL17039855 0.89 SIRT5 (0.57) SIRT5SIRT2SIRT1SIRT3
SCHEMBL17039813 0.89 SIRT2 (0.59) SIRT5SIRT2SIRT1SIRT3
SCHEMBL17750718 0.89 SIRT5 (0.57) SIRT5SIRT2SIRT1SIRT3
SCHEMBL31045343 0.86 SIRT2 (0.56) MAPTSIRT5SIRT2SIRT1SIRT3
SCHEMBL30064541 0.86 MAPT (0.62) KLK7KLK5MAPT
SCHEMBL29813489 0.85 MAPT (0.56) KLK7KLK5MAPTSIRT5SIRT2
SCHEMBL30668140 0.85 KLK7 (0.57) KLK7KLK5MAPT
SCHEMBL13599678 0.83 L3MBTL1 (0.59) KLK7KLK5MAPTSIRT5SIRT2
SCHEMBL16847749 0.83 SIRT5 (0.51) KLK7KLK5MAPTSIRT5SIRT2

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-2024238872-A2 ISOINDOLINONE-GLUTARIMIDE ANTIBODY CONJUGATES, AND USES THEREOF FIREFLY BIO, INC. (US) 2024-11-21 — — WO disclosed
Send feedback