SCHEMBL7799082

SCHEMBL7799082

C/C=C1/CN(C(=O)C2(C)CCCCC2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.38
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7797154 0.76 HDAC6 (0.42) HDAC6ALDH1A1POLBPKM
SCHEMBL1174050 0.76 HDAC6 (0.62) HDAC6ALDH1A1POLBPKM
SCHEMBL1173906 0.74 HDAC6 (0.62) HDAC6ALDH1A1POLBPKM
SCHEMBL7796483 0.74 HDAC6 (0.47) HDAC6
SCHEMBL7795811 0.74 POLB (0.40) HDAC6ALDH1A1POLB
SCHEMBL7796728 0.74 HDAC1 (0.53) HDAC6
SCHEMBL7796324 0.72 HDAC6 (0.63) HDAC6
SCHEMBL7787409 0.72 HDAC6 (0.47) HDAC6ALDH1A1
SCHEMBL7796971 0.72 ALDH1A1 (0.43) HDAC6ALDH1A1POLB
SCHEMBL7796321 0.72 HDAC6 (0.50) HDAC6ALDH1A1POLB

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-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed