SCHEMBL6067593

SCHEMBL6067593

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ OPRK1 P41145 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ HSD17B10 Q99714 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ESR2 Q92731 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ ADRB2 P07550 1/20 0.45

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 0.86 LTA4H (0.55) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL425634 0.81 KMT2A (0.54) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL27476119 0.80 OPRK1 (0.66) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL12291744 0.80 KMT2A (0.75) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL8223629 0.79 KMT2A (0.60) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL20769767 0.79 KMT2A (0.64) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL4132946 0.79 KMT2A (0.55) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL3805817 0.79 KMT2A (0.68) KMT2AMEN1OPRK1TDP1LMNA
Hydrochloric Acid SCHEMBL3807668 0.78 KMT2A (0.58) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL4128792 0.78 KMT2A (0.54) KMT2AMEN1OPRK1TDP1LMNA

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-7060708-B2 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. (US) 2006-06-13 — — US disclosed
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