SCHEMBL4550110

SCHEMBL4550110

CCNc1cccc(OCCn2ccc3ccc(C(=O)NO)cc3c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.43
PLAU P00749 2/20 0.43
HDAC6 Q9UBN7 8/20 0.42
HDAC3 O15379 7/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
NCOR2 Q9Y618 3/20 0.42
THRB P10828 1/20 0.41
HDAC10 Q969S8 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL2118644 0.85 HDAC6 (0.46) SMPD1HDAC6HDAC3HDAC1HDAC2
SCHEMBL2619360 0.84 SMPD1 (0.43) SMPD1HDAC6HDAC3HDAC1HDAC2
SCHEMBL4550059 0.82 MAPT (0.45) SMPD1HDAC6HDAC1HDAC8
SCHEMBL4550180 0.82 SMPD1 (0.56) SMPD1HDAC6HDAC3HDAC1HDAC2
SCHEMBL10268001 0.81 HDAC6 (0.51) PLAUHDAC6HDAC3HDAC1HDAC2
SCHEMBL2619364 0.81 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2116432 0.81 HDAC6 (0.56) SMPD1HDAC6HDAC3HDAC1HDAC2
SCHEMBL2619419 0.80 ALDH1A1 (0.43) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4550103 0.80 HDAC8 (0.46) SMPD1HDAC6HDAC3HDAC1HDAC2
SCHEMBL2117586 0.79 HDAC8 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8

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