SCHEMBL4550087

SCHEMBL4550087

CC(O)c1ccc2ccc(OCCCn3ccc4ccc(C(=O)NO)cc4c3=O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC3 O15379 4/20 0.40
HDAC2 Q92769 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HTR6 P50406 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
MCL1 Q07820 4/20 0.38
TNF P01375 1/20 0.37

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
SCHEMBL4550036 0.98 HDAC6 (0.41) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL2619282 0.88 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL2611306 0.86 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL10284845 0.84 TNF (0.43) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL2116350 0.83 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL2117312 0.83 HDAC6 (0.45) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL4550099 0.79 MCL1 (0.54) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL2611295 0.79 HDAC3 (0.44) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL2611340 0.78 RAB9A (0.43) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL2117041 0.78 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC2NCOR2

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-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed