SCHEMBL18774075

SCHEMBL18774075

CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 8/20 0.50
▸ SIRT1 Q96EB6 7/20 0.50
▸ SIRT3 Q9NTG7 3/20 0.50
▸ SIRT5 Q9NXA8 3/20 0.50
▸ PSMB8 P28062 1/20 0.48
▸ PSMB9 P28065 1/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ KLK7 P49862 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46

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
SCHEMBL18752309 0.93 SIRT2 (0.49) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL18752310 0.93 SIRT2 (0.51) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL21097237 0.92 PSMB8 (0.49) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL25863358 0.87 SIRT5 (0.52) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL21097238 0.86 SIRT5 (0.49) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL17039855 0.86 SIRT5 (0.57) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL17750718 0.86 SIRT5 (0.57) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL17750717 0.85 SIRT5 (0.56) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL17039859 0.85 SIRT5 (0.56) SIRT2SIRT1SIRT3SIRT5PSMB8
SCHEMBL14872058 0.85 SSTR3 (0.55) SIRT2SIRT1SIRT3MMP3

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
EP-2558127-B1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES SEAGEN INC (US) 2022-01-19 — — EP disclosed
EP-2751111-B1 Asymmetrical bis-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one) derivatives for the treatment of proliferative or autoimmune diseases MEDIMMUNE LTD (GB) 2017-04-26 — — EP disclosed
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