SCHEMBL14201136

SCHEMBL14201136

CCCCc1c(CC)cccc1NC(=O)CC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.41

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
SCHEMBL14201075 0.96 SMN1; SMN2 (0.50) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201062 0.95 SMN1; SMN2 (0.49) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201139 0.93 HPGD (0.52) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201095 0.92 SMN1; SMN2 (0.54) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201058 0.90 SMN1; SMN2 (0.58) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201086 0.90 SMN1; SMN2 (0.49) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201087 0.88 SMN1; SMN2 (0.48) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201065 0.88 SMN1; SMN2 (0.52) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201050 0.88 HPGD (0.55) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14201083 0.86 SMN1; SMN2 (0.54) HPGDRAB9ANPC1SMN1; SMN2HTT

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-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