SCHEMBL4753983

SCHEMBL4753983

COC(=O)CN(CCc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.44
PPARA Q07869 6/20 0.44
MMP12 P39900 2/20 0.42
PPARD Q03181 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MMP3 P08254 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SLC6A2 P23975 1/20 0.39
MMP13 P45452 1/20 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
SCHEMBL7730448 0.92 HDAC1 (0.45) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL4755595 0.89 FFAR1 (0.45) PPARGPPARAMMP12PPARDHDAC1
SCHEMBL12894958 0.88 HDAC3 (0.51) HDAC1HDAC2HDAC3NCOR2CTSS
SCHEMBL30724412 0.81 HDAC1 (0.49) MMP12HDAC1HDAC2HDAC3NCOR2
SCHEMBL4073146 0.80 FFAR1 (0.46) MMP12MMP3CTSSCTSKSLC6A2
SCHEMBL3050230 0.80 MEN1 (0.46) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL6676150 0.80 L3MBTL1 (0.46) HDAC1HDAC2HDAC3NCOR2
SCHEMBL7998541 0.80 ALOX5 (0.49) HDAC1HDAC2HDAC3NCOR2CTSS
SCHEMBL4658260 0.79 FFAR1 (0.49) PPARG
SCHEMBL6676419 0.77 L3MBTL1 (0.43) HDAC1HDAC2HDAC3NCOR2

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-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed