SCHEMBL6132885

SCHEMBL6132885

COCCCCCCCCCS(=O)(=O)c1ccc(-c2nc(-c3ccc(C(=O)On4nnc5ccccc54)cc3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIRT2 Q8IXJ6 3/20 0.39
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 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
SCHEMBL6133194 1.00 HDAC4 (0.47) HDAC4HDAC6HDAC3HDAC1HDAC7
SCHEMBL6132933 0.88 HDAC3 (0.56) HDAC4HDAC6HDAC3HDAC1HDAC7
SCHEMBL6132522 0.88 HDAC3 (0.56) HDAC4HDAC6HDAC3HDAC1HDAC7
SCHEMBL6132384 0.82 MAPT (0.52) HDAC4HDAC6NPC1RAB9AMAPT
SCHEMBL6132386 0.82 MAPT (0.52) HDAC4HDAC6NPC1RAB9AMAPT
SCHEMBL12243336 0.81 HDAC3 (0.53) HDAC4HDAC6HDAC3HDAC1HDAC7
SCHEMBL6132679 0.79 NR1H4 (0.44) HDAC4HDAC6MAPTCA2CA9
SCHEMBL6132909 0.79 NR1H4 (0.44) HDAC4HDAC6MAPTCA2CA9
SCHEMBL7326769 0.76 HDAC3 (0.59) HDAC4HDAC6HDAC3HDAC1HDAC7
SCHEMBL7324486 0.76 HDAC3 (0.67) HDAC4HDAC6HDAC3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed