SCHEMBL10958002

SCHEMBL10958002

CC=CO[C@H]1O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)CCl)[C@H](OCc2ccccc2)[C@@H]1NC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.44
▸ SELP P16109 3/20 0.41
▸ LY96 Q9Y6Y9 6/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MCHR1 Q99705 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SSTR3 P32745 2/20 0.37
▸ SSTR5 P35346 2/20 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
SCHEMBL10957996 1.00 TLR4 (0.44) TLR4SELPLY96LMNAMCHR1
SCHEMBL10961247 0.89 MCHR1 (0.47) SELPMCHR1SSTR3SSTR5
SCHEMBL10961242 0.89 MCHR1 (0.47) SELPMCHR1SSTR3SSTR5
SCHEMBL21058359 0.81 LMNA (0.48) TLR4LY96LMNAMCHR1KMT2A
SCHEMBL10959859 0.81 SELP (0.49) TLR4SELPLY96MCHR1SSTR3
SCHEMBL10959851 0.81 SELP (0.49) TLR4SELPLY96MCHR1SSTR3
SCHEMBL10960740 0.80 SELP (0.42) TLR4SELPLY96LMNAMCHR1
SCHEMBL31352990 0.78 LMNA (0.50) TLR4LMNAMCHR1KMT2ASSTR3
SCHEMBL21058370 0.77 LMNA (0.50) LMNAMCHR1KMT2ASSTR3SSTR5
SCHEMBL10960734 0.76 MCHR1 (0.48) SELPMCHR1SSTR3SSTR5

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
US-4495346-A CATALYTICALLY COUPLING TWO MONOSACCHARIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-01-22 — — US disclosed
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