SCHEMBL14864111

SCHEMBL14864111

COC(=O)NCCCCC(NC(=O)OC)C(=O)NCCC(=O)NCCNC(=O)CCN1C(=O)CC(SC)C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.37
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ OPRK1 P41145 2/20 0.33
▸ TPSAB1 Q15661 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL14864110 0.98 FOLH1 (0.38) FOLH1SIRT2OPRK1TPSAB1POLB
SCHEMBL14980045 0.92 FOLH1 (0.37) FOLH1SIRT2OPRK1TPSAB1POLB
SCHEMBL14980086 0.90 FOLH1 (0.38) FOLH1SIRT2OPRK1TPSAB1POLB
SCHEMBL277487 0.89 SIRT2 (0.40) FOLH1SIRT2TPSAB1HDAC4
SCHEMBL15474215 0.86 TPSAB1 (0.36) FOLH1SIRT2TPSAB1POLBHSD17B10
SCHEMBL12692605 0.86 FOLH1 (0.38) FOLH1SIRT2OPRK1HDAC3HDAC4
SCHEMBL14864098 0.85 SIRT2 (0.35) FOLH1SIRT2TPSAB1POLBHSD17B10
SCHEMBL14980081 0.84 SIRT2 (0.34) FOLH1SIRT2TPSAB1POLBHSD17B10
SCHEMBL17812998 0.83 FOLH1 (0.33) FOLH1SIRT2OPRK1TPSAB1
SCHEMBL277717 0.82 SIRT2 (0.35) FOLH1SIRT2OPRK1HDAC3HDAC4

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-8420068-B2 Polymer-based compositions and conjugates of antimicrobial agents NEKTAR THERAPEUTICS (US) 2013-04-16 — — US disclosed
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