SCHEMBL25454947

SCHEMBL25454947

CCOCCC(=O)NC(CCCCNC)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.39
▸ NOD1 Q9Y239 5/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GLP1R P43220 4/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL16093004 0.88 GLP1R (0.37) TLR2NOD1ALBSIRT5TSHR
SCHEMBL23382257 0.86 NOD1 (0.36) TLR2NOD1ALBSIRT5GLP1R
SCHEMBL12227120 0.84 NOD1 (0.44) TLR2NOD1ALBSIRT5
SCHEMBL14902999 0.83 GLP1R (0.46) TLR2NOD1ALBSIRT5GLP1R
SCHEMBL24601556 0.81 GLP1R (0.52) TLR2NOD1ALBGLP1RSIRT2
SCHEMBL16093009 0.81 GLP1R (0.38) TLR2NOD1ALBSIRT5GLP1R
SCHEMBL25454946 0.81 GLP1R (0.38) TLR2NOD1KMT2APOLBALB
SCHEMBL25454957 0.79 GLP1R (0.46) TLR2NOD1ALBSIRT5GLP1R
SCHEMBL14903000 0.79 GLP1R (0.49) TLR2NOD1ALBSIRT5GLP1R
SCHEMBL16093019 0.79 GLP1R (0.41) TLR2NOD1ALBSIRT5GLP1R

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-20230152316-A1 SARS-COV2 SPIKE PROTEIN BINDING PEPTIDES MASSACHUSETTS INST TECHNOLOGY (US) 2023-05-18 — — US disclosed
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