SCHEMBL2467863

SCHEMBL2467863

CC(C)(CNC(=O)c1cc2cc(Cl)ccc2o1)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.55
HDAC1 Q13547 6/20 0.55
HDAC2 Q92769 6/20 0.55
HDAC6 Q9UBN7 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ADAMTS4 O75173 6/20 0.47
ADAMTS5 Q9UNA0 6/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MMP2 P08253 5/20 0.42
MMP3 P08254 5/20 0.42
MMP13 P45452 5/20 0.42
MMP14 P50281 5/20 0.42

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
SCHEMBL4816398 0.78 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL446351 0.76 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2406715 0.76 TAS1R3 (0.50) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4928945 0.76 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL444823 0.76 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL17254439 0.76 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL29827697 0.74 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL445062 0.74 HDAC1 (0.64) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4920463 0.73 HDAC2 (0.69) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL6239408 0.72 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC6HDAC4

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-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed