SCHEMBL14201065

SCHEMBL14201065

CCCc1cccc(NC(=O)CC(C)(C)C)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL14201083 0.96 SMN1; SMN2 (0.54) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201095 0.93 SMN1; SMN2 (0.54) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201139 0.92 HPGD (0.52) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201058 0.91 SMN1; SMN2 (0.58) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201086 0.91 SMN1; SMN2 (0.49) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201087 0.90 SMN1; SMN2 (0.48) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201136 0.88 HPGD (0.53) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201075 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201062 0.85 SMN1; SMN2 (0.49) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14229550 0.85 POLB (0.43) SMN1; SMN2HTTHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed