SCHEMBL28615852

SCHEMBL28615852

CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.55
▸ MDM2 Q00987 4/20 0.52
▸ PTPN1 P18031 4/20 0.51
▸ MME P08473 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ GNPAT O15228 1/20 0.49
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL12476100 1.00 TLR2 (0.55) TLR2MDM2PTPN1MMEECE1
SCHEMBL12476097 1.00 TLR2 (0.55) TLR2MDM2PTPN1MMEECE1
SCHEMBL18683448 1.00 TLR2 (0.55) TLR2MDM2PTPN1MMEECE1
SCHEMBL23253745 0.94 TLR2 (0.52) TLR2MDM2PTPN1MDM4TP53
SCHEMBL27041569 0.91 TLR2 (0.49) TLR2MDM2PTPN1MDM4TP53
SCHEMBL27041543 0.91 TLR2 (0.49) TLR2MDM2PTPN1MDM4TP53
SCHEMBL1000115 0.91 TLR2 (0.62) TLR2MDM2MDM4TP53
SCHEMBL1044856 0.91 TLR2 (0.62) TLR2MDM2MDM4TP53
SCHEMBL29398487 0.91 TLR2 (0.62) TLR2MDM2MDM4TP53
SCHEMBL29382791 0.91 TLR2 (0.62) TLR2MDM2MDM4TP53

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
CN-106117310-B Small molecule conjugates for intracellular delivery of biologically active compounds 弗·哈夫曼-拉罗切有限公司 2021-04-06 — — CN disclosed
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