SCHEMBL18906906

SCHEMBL18906906

CC(C)(C)OC(=O)NOCCOCCOCCNC(=O)C(CCCCNC(=O)COCCOCCN)NC(=O)COCCOCCN

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.49
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL18906902 1.00 GLP1R (0.49) GLP1RCA1CA2SIRT6SIRT1
SCHEMBL23995632 0.99 GLP1R (0.50) GLP1RCA1CA2SIRT6SIRT1
SCHEMBL18911933 0.88 GLP1R (0.45) GLP1RCA1CA2CTSSCTSK
SCHEMBL18912601 0.88 GLP1R (0.41) GLP1RCA1CA2SIRT6SIRT1
SCHEMBL13699550 0.84 GLP1R (0.54) GLP1RCA1CA2CTSSCTSK
SCHEMBL13699549 0.84 GLP1R (0.56) GLP1RCA1CA2CTSSCTSK
SCHEMBL3485167 0.83 GLP1R (0.51) GLP1RCA1CA2ADORA1
SCHEMBL3486505 0.83 GLP1R (0.51) GLP1RCA1CA2ADORA1
SCHEMBL4517738 0.83 GLP1R (0.54) GLP1RSIRT6SIRT1TLR2
SCHEMBL3484885 0.83 GLP1R (0.54) GLP1RSIRT6SIRT1TLR2

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-2017089890-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 — — WO disclosed
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