SCHEMBL4214552

SCHEMBL4214552

Cc1ccc(-c2ccc(CC[C@@H](O)C(CCn3nnc4cc(C(F)(F)F)ccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 12/20 0.44
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1844584 1.00 GPR139 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843434 0.95 GPR139 (0.40) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843451 0.90 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843884 0.90 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4208583 0.90 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4208578 0.90 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1842938 0.88 GPR139 (0.53) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843398 0.88 KDR (0.41) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1841174 0.87 GPR139 (0.42) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4216283 0.87 GPR139 (0.49) GPR139MMP1MMP2MMP3MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed