SCHEMBL22452312

SCHEMBL22452312

CC(=O)OCc1ccc(NC(=O)C(CCCCN)NC(=O)COCC=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 7/20 0.44
▸ SIRT1 Q96EB6 6/20 0.44
▸ KLKB1 P03952 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MMP3 P08254 1/20 0.39
▸ PDF Q9HBH1 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ CALCRL Q16602 1/20 0.38
▸ SIRT5 Q9NXA8 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ CPB1 P15086 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.37

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
SCHEMBL25052999 0.84 SIRT2 (0.51) SIRT2SIRT1SIRT3SIRT5
SCHEMBL23180461 0.77 SIRT2 (0.36) SIRT2SIRT1MMP3SIRT3SIRT5
SCHEMBL25100592 0.77 SIRT2 (0.42) SIRT2SIRT1KLKB1MMP3PDF
SCHEMBL26283842 0.77 CPB1 (0.49) SIRT2SIRT1KLKB1MMP3SIRT3
SCHEMBL24906651 0.77 SIRT1 (0.45) SIRT2SIRT1KLKB1MMP3PDF
SCHEMBL24390289 0.77 SIRT1 (0.45) SIRT2SIRT1KLKB1MMP3PDF
SCHEMBL26017200 0.77 MMP3 (0.43) SIRT2SIRT1KLKB1LTA4HMMP3
SCHEMBL17090699 0.76 KLKB1 (0.46) SIRT2SIRT1KLKB1LTA4HMMP3
SCHEMBL25932588 0.76 LTA4H (0.41) SIRT2SIRT1KLKB1LTA4HMMP3
SCHEMBL14821040 0.76 SSTR3 (0.55) SIRT2SIRT1LTA4HMMP3SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107560-A1 DLK1 ANTIBODIES AND METHODS OF TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-15 — — WO disclosed
WO-2020191344-A1 CLAUDIN-6 BISPECIFIC ANTIBODIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-24 — — WO disclosed
WO-2020191342-A1 CLAUDIN-6 ANTIBODIES AND DRUG CONJUGATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-24 — — WO disclosed
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