SCHEMBL9275653

SCHEMBL9275653

CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 20/20 0.57

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
SCHEMBL9266482 1.00 TLR2 (0.57) TLR2
SCHEMBL9273414 1.00 TLR2 (0.57) TLR2
SCHEMBL9266379 1.00 TLR2 (0.57) TLR2
SCHEMBL9273066 0.95 TLR2 (0.59) TLR2
SCHEMBL9275507 0.95 TLR2 (0.59) TLR2
SCHEMBL9275541 0.95 TLR2 (0.59) TLR2
SCHEMBL9275555 0.95 TLR2 (0.59) TLR2
SCHEMBL9272764 0.94 TLR2 (0.57) TLR2
SCHEMBL9273194 0.93 TLR2 (0.65) TLR2
SCHEMBL9277173 0.93 TLR2 (0.62) TLR2

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
EP-0604945-A1 TAN-1511, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-06 — — EP claimed
US-5478809-A Blood disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 — — US disclosed
EP-0604945-A1 TAN-1511, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-06 — — EP disclosed
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