SCHEMBL14240585

SCHEMBL14240585

O=C(CCOCCO)NCCCOCCOCCOCCCNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.58
▸ SIRT1 Q96EB6 4/20 0.53
▸ FOLH1 Q04609 2/20 0.52
▸ SIRT3 Q9NTG7 2/20 0.52
▸ CAPN1 P07384 1/20 0.52
▸ CAPN2 P17655 1/20 0.52
▸ CPB1 P15086 1/20 0.51
▸ CPB2 Q96IY4 1/20 0.51
▸ SIRT5 Q9NXA8 2/20 0.51
▸ PTGER4 P35408 2/20 0.51
▸ TPSAB1 Q15661 1/20 0.51

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
SCHEMBL15084866 0.96 SIRT2 (0.61) SIRT2SIRT1FOLH1SIRT3CAPN1
SCHEMBL22055423 0.95 SIRT2 (0.63) SIRT2SIRT1FOLH1SIRT3CAPN1
SCHEMBL15084702 0.94 SIRT2 (0.59) SIRT2SIRT1FOLH1SIRT3CAPN1
SCHEMBL14642695 0.92 SIRT2 (0.64) SIRT2SIRT1SIRT3CAPN1CAPN2
SCHEMBL14642694 0.92 SIRT2 (0.59) SIRT2SIRT1FOLH1SIRT3CAPN1
SCHEMBL20980386 0.91 CPB1 (0.60) SIRT2SIRT1FOLH1SIRT3CPB1
SCHEMBL14642785 0.90 SIRT2 (0.57) SIRT2SIRT1FOLH1SIRT3CAPN1
SCHEMBL14642700 0.90 SIRT2 (0.57) SIRT2SIRT1FOLH1SIRT3CAPN1
SCHEMBL14642788 0.90 SIRT2 (0.62) SIRT2SIRT1SIRT3CAPN1CAPN2
SCHEMBL18653805 0.90 SIRT2 (0.57) SIRT2SIRT1SIRT3CAPN1CAPN2

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-2012170952-A2 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING SIRNA ACTIVITY NITTO DENKO CORPORATION (JP) 2012-12-13 — — WO disclosed
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