SCHEMBL1111809

SCHEMBL1111809

CC(C)N(C(=O)CCCSc1ccccc1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44

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
SCHEMBL571146 0.82 ALDH1A1 (0.66) ALDH1A1LMNARAB9ANPC1HDAC3
SCHEMBL11586796 0.80 ALDH1A1 (0.50) ALDH1A1LMNARAB9ANPC1HDAC3
SCHEMBL24697978 0.79 ALDH1A1 (0.66) ALDH1A1LMNARAB9ANPC1HDAC3
SCHEMBL6469838 0.78 ALDH1A1 (0.59) ALDH1A1LMNARAB9ANPC1HDAC3
SCHEMBL27271335 0.76 ALDH1A1 (0.72) ALDH1A1LMNARAB9ANPC1HDAC3
SCHEMBL10247697 0.76 NPC1 (0.66) ALDH1A1RAB9ANPC1HDAC3HDAC4
SCHEMBL1932191 0.76 ALDH1A1 (1.00) ALDH1A1LMNARAB9ANPC1HDAC3
SCHEMBL3959624 0.74 ALDH1A1 (0.75) ALDH1A1LMNARAB9ANPC1HDAC3
SCHEMBL27271332 0.73 ALDH1A1 (0.68) ALDH1A1LMNARAB9ANPC1HDAC3
SCHEMBL8160357 0.73 ALDH1A1 (0.72) ALDH1A1LMNARAB9ANPC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101534904-B BCL inhibitors for the treatment of platelet excess ABBOTT LAB 2013-11-06 CN disclosed
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO disclosed
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed