SCHEMBL21963477

SCHEMBL21963477

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=S)CCc1ccc(I)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.42
▸ TLR2 O60603 5/20 0.41
▸ SIRT2 Q8IXJ6 5/20 0.40
▸ SIRT1 Q96EB6 5/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ SIRT3 Q9NTG7 4/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CXCR3 P49682 1/20 0.38
▸ ALB P02768 2/20 0.38

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
SCHEMBL21963478 1.00 MDM2 (0.42) MDM2TLR2SIRT2SIRT1TLR1
SCHEMBL31298675 0.93 ALB (0.47) MDM2TLR2ALB
SCHEMBL20530037 0.93 ALB (0.47) MDM2TLR2ALB
SCHEMBL31298693 0.91 ALB (0.48) TLR2TLR1ALB
SCHEMBL22022022 0.90 TLR2 (0.41) TLR2SIRT2SIRT1TLR1SIRT3
SCHEMBL22021730 0.90 TLR2 (0.41) MDM2TLR2SIRT2SIRT1TLR1
SCHEMBL30895538 0.89 TLR2 (0.49) MDM2TLR2TLR1
SCHEMBL29521884 0.88 TLR2 (0.41) MDM2TLR2SIRT2TLR1CA1
SCHEMBL30895452 0.88 TLR2 (0.48) MDM2TLR2TLR1
SCHEMBL30895592 0.86 TLR2 (0.51) MDM2TLR2TLR1

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-3880253-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF Noria Therapeutics, Inc. (US) 2021-09-22 — — EP disclosed
WO-2020102348-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF DIMAGNO STEPHEN (US) 2020-05-22 — — WO disclosed
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