SCHEMBL326865

SCHEMBL326865

O=C(O)NCCCC(=O)N(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
ATM Q13315 1/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL15284541 0.80 SIGMAR1 (0.48) KMT2ANPSR1
SCHEMBL7985994 0.80 ALDH1A1 (0.48) RAB9AHTTNPC1ALDH1A1POLB
SCHEMBL836988 0.77 TP53 (0.51) RAB9ANPC1ALDH1A1GLAPAX8
SCHEMBL155509 0.76 ALOX5 (0.44) RAB9AHTTNPC1ALDH1A1POLB
SCHEMBL9834690 0.76 ALOX5 (0.65) RAB9ANPC1ALDH1A1HDAC6HDAC3
SCHEMBL7196384 0.75 NPC1 (0.53) RAB9AHTTNPC1ALDH1A1KMT2A
SCHEMBL8197064 0.73 ALDH1A1 (0.52) RAB9AHTTNPC1ALDH1A1POLB
SCHEMBL27829156 0.73 TP53 (0.65) RAB9AHTTNPC1ALDH1A1POLB
SCHEMBL10837254 0.72 ALDH1A1 (0.67) RAB9AHTTNPC1ALDH1A1POLB
SCHEMBL7136870 0.72 TDP1 (0.64) RAB9ANPC1ALDH1A1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed