SCHEMBL7868258

SCHEMBL7868258

CCCCc1ccc(-c2cc3c(cc(C(=O)N4CCCc5cc(C(=O)NO)cc(F)c5C4)n3C)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC1 Q13547 5/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ MPL P40238 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ KDM1A O60341 3/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AVPR2 P30518 1/20 0.32
▸ OXTR P30559 1/20 0.32
▸ AVPR1A P37288 1/20 0.32

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
SCHEMBL1264478 0.75 HDAC6 (0.54) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL12210474 0.70 HDAC6 (0.47) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL7866689 0.68 HDAC6 (0.49) HDAC6MAPT
SCHEMBL1263507 0.68 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL7868064 0.67 HDAC6 (0.45) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL1263371 0.63 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC3MAPT
SCHEMBL12868966 0.61 HDAC6 (0.56) HDAC6HDAC8HDAC1HDAC3KDM1A
SCHEMBL1174023 0.61 HDAC6 (0.53) HDAC6HDAC8HDAC1HDAC3MAPT
SCHEMBL16330350 0.60 PPARG (0.41) HDAC6
SCHEMBL1263752 0.59 MEN1 (0.52) HDAC6HDAC8HDAC1HDAC3HDAC2

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
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO disclosed
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