SCHEMBL7705341

SCHEMBL7705341

CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1)S(C)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
AKT1 P31749 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
STAT5B P51692 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
PTPN1 P18031 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL7705112 0.87 STAT5B (0.46) HDAC3HDAC1HDAC2NCOR2STAT5B
SCHEMBL7707821 0.87 AKT1 (0.48) L3MBTL1CTSSAKT1HDAC3HDAC1
SCHEMBL6338886 0.86 TAS2R14 (0.42) TSHRHTTTP53MAPTRAB9A
SCHEMBL7702197 0.86 RIPK1 (0.43)
SCHEMBL7707801 0.83 KMT2A (0.43) HDAC3HDAC1HDAC2NCOR2
SCHEMBL5878524 0.81 HDAC3 (0.41) HTTL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL19022289 0.80 STAT5B (0.32) AKT1NPSR1STAT5B
SCHEMBL7715054 0.80 AOC3 (0.37) CTSSCTSKNPSR1NPC1RECQL
SCHEMBL1684467 0.79 PYCR1 (0.42) CTSSCTSKAKT1HDAC3HDAC1
SCHEMBL5877930 0.79 MEN1 (0.40) CTSSCTSKNPSR1NPC1RECQL

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
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed
WO-1999005114-A2 1H-4(5)-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 WO disclosed