SCHEMBL24864633

SCHEMBL24864633

CC(C)[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 5/20 0.38
▸ FURIN P09958 3/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ ITGB1 P05556 2/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ CA4 P22748 2/20 0.35
▸ ITGA4 P13612 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
SCHEMBL24864395 0.93 SIRT2 (0.38) FURINFOLH1SIRT2SIRT1SIRT5
SCHEMBL24864619 0.90 FOLH1 (0.40) FURINFOLH1SIRT2SIRT1SIRT5
SCHEMBL24864590 0.85 SIRT1 (0.40) FOLH1SIRT2SIRT1SIRT5CA1
SCHEMBL24864487 0.85 KLKB1 (0.44) QRFPRFURINCA1CA2ITGB1
SCHEMBL24864438 0.85 FOLH1 (0.39) FURINFOLH1SIRT2SIRT1SIRT5
SCHEMBL27291574 0.83 FURIN (0.42) FURINFOLH1SIRT2SIRT1SIRT5
SCHEMBL24864470 0.82 SIRT1 (0.39) FOLH1SIRT2SIRT1SIRT5CA1
SCHEMBL29342074 0.78 KLKB1 (0.42) FURINCA1CA2
SCHEMBL24864585 0.78 FOLH1 (0.39) FOLH1SIRT2SIRT1SIRT5
SCHEMBL24864394 0.78 GLP1R (0.40) FOLH1SIRT2SIRT1SIRT5CA1

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-2023280227-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2023-01-12 — — WO disclosed
Send feedback