SCHEMBL6909931

SCHEMBL6909931

C=C(O)CCC(=O)NCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
HDAC6 Q9UBN7 8/20 0.41
HDAC3 O15379 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC7 Q8WUI4 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC10 Q969S8 6/20 0.41
HDAC11 Q96DB2 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC9 Q9UKV0 6/20 0.41
HDAC5 Q9UQL6 6/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
KIF11 P52732 5/20 0.41
TRPV1 Q8NER1 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
SCHEMBL9978090 0.91 LMNA (0.48) L3MBTL1HDAC6HDAC3HDAC4HDAC1
SCHEMBL99144 0.91 HDAC6 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2806972 0.83 L3MBTL1 (0.43) L3MBTL1HDAC6HDAC3HDAC4HDAC1
SCHEMBL3158110 0.82 HDAC3 (0.46) L3MBTL1HDAC6HDAC3HDAC4HDAC1
SCHEMBL12917527 0.82 KIF11 (0.50) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL16330567 0.82 EPHX2 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL23299715 0.81 LMNA (0.52) L3MBTL1HDAC6HDAC3HDAC4HDAC1
SCHEMBL6907826 0.80 HPGD (0.41) HDAC6LMNATSHRHPGDKIF11
SCHEMBL11885305 0.79 KIF11 (0.45) L3MBTL1LMNATSHRHPGDKIF11
SCHEMBL16117463 0.78 MEN1 (0.53) HDAC6HDAC3HDAC1HDAC8HPGD

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
WO-2011012723-A1 INJECTABLE SUSTAINED RELEASE COMPOSITIONS COMPRISING A PRAMIPEXOLE PRODRUG ASCENDIS PHARMA AS (DK) 2011-02-03 WO disclosed
WO-2011012722-A1 PRODRUGS CONTAINING AN AROMATIC AMINE CONNECTED BY AN AMIDO BOND TO A LINKER ASCENDIS PHARMA AS (DK) 2011-02-03 WO disclosed