SCHEMBL18818915

SCHEMBL18818915

CCC(C)C(=O)C(CCCNC(N)=O)NC(=O)C(NC)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FURIN P09958 5/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL24490420 0.90 C3AR1 (0.34) RENSMN1; SMN2FURINC3AR1SIRT5
SCHEMBL21915057 0.90 C3AR1 (0.34) RENSMN1; SMN2FURINC3AR1SIRT5
SCHEMBL22001947 0.90 C3AR1 (0.34) RENSMN1; SMN2FURINC3AR1SIRT5
SCHEMBL24703694 0.89 SMN1; SMN2 (0.32) RENSMN1; SMN2FURINC3AR1SIRT5
SCHEMBL25070715 0.87 FURIN (0.31) RENSMN1; SMN2FURINC3AR1SIRT5
SCHEMBL21914973 0.86 SMN1; SMN2 (0.33) RENSMN1; SMN2FURINC3AR1SIRT6
SCHEMBL23393940 0.85 SIRT5 (0.39) SMN1; SMN2FURINC3AR1SIRT5LMNA
SCHEMBL20385879 0.85 SMN1; SMN2 (0.39) RENSMN1; SMN2FURINC3AR1SIRT6
SCHEMBL22045351 0.85 FURIN (0.39) RENSMN1; SMN2FURINC3AR1SIRT5
SCHEMBL17448412 0.85 SMN1; SMN2 (0.34) RENSMN1; SMN2FURINC3AR1SIRT6

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
WO-2017072662-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST NOVARTIS AG (CH) 2017-05-04 — — WO disclosed
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