SCHEMBL4755595

SCHEMBL4755595

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccccc2)cc1)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
MMP12 P39900 5/20 0.45
MMP13 P45452 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PPARD Q03181 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41
MMP3 P08254 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL3050230 0.92 MEN1 (0.46) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL4753983 0.89 PPARG (0.44) MMP12MMP13PPARGPPARAHDAC3
SCHEMBL12894955 0.86 HDAC3 (0.51) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL31407633 0.85 GAA (0.40) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL31407335 0.85 TAAR1 (0.41) FFAR1PPARGPPARAHDAC3HDAC1
SCHEMBL31407623 0.84 PPARA (0.44) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL30724412 0.84 HDAC1 (0.49) MMP12HDAC3HDAC1HDAC2NCOR2
SCHEMBL4073146 0.83 FFAR1 (0.46) FFAR1MMP12MMP13MMP2MMP9
SCHEMBL6676419 0.83 L3MBTL1 (0.43) HDAC3HDAC1HDAC2NCOR2
SCHEMBL7730448 0.80 HDAC1 (0.45) HDAC3HDAC1HDAC2NCOR2LMNA

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