SCHEMBL13772744

SCHEMBL13772744

CC(=O)Nc1ccc(OC(=O)CCC(NC=O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ OPRK1 P41145 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40

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
SCHEMBL1818825 0.80 LTA4H (0.55) KMT2AMEN1OPRK1TDP1ESR2
SCHEMBL6067593 0.77 KMT2A (0.57) KMT2AMEN1OPRK1TDP1ESR2
SCHEMBL425634 0.74 KMT2A (0.54) KMT2AMEN1OPRK1TDP1ESR2
SCHEMBL27476119 0.74 OPRK1 (0.66) KMT2AMEN1OPRK1TDP1ESR2
SCHEMBL27615083 0.74 ALDH1A1 (0.40) KMT2ATDP1HSD17B10MAPTALDH1A1
SCHEMBL12291744 0.73 KMT2A (0.75) KMT2AMEN1OPRK1TDP1ESR2
SCHEMBL20769767 0.73 KMT2A (0.64) KMT2AMEN1OPRK1TDP1ESR2
SCHEMBL12291743 0.72 KMT2A (0.68) KMT2AMEN1OPRK1TDP1ESR2
SCHEMBL12657551 0.72 KMT2A (0.45) KMT2AMEN1OPRK1TDP1ESR2
SCHEMBL27291810 0.72 SLC1A1 (0.45) KMT2AMEN1ALDH1A1LMNATSHR

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
EP-2080511-A2 Active agent delivery systems and methods for protecting and administering active agents Shire LLC (US) 2009-07-22 — — EP disclosed
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