SCHEMBL10050673

SCHEMBL10050673

CCC(C)(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.61
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MAPK1 P28482 1/20 0.58
GAA P10253 2/20 0.56
MAPT P10636 4/20 0.56
PPARG P37231 3/20 0.55
ELANE P08246 3/20 0.51
PKM P14618 1/20 0.49
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LTA4H P09960 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL10050640 0.91 PPARA (0.58) PPARALMNAL3MBTL1MAPK1GAA
SCHEMBL12455551 0.90 PPARA (0.57) PPARALMNAL3MBTL1MAPK1GAA
SCHEMBL10050669 0.89 PPARA (0.48) PPARALMNAL3MBTL1MAPK1GAA
SCHEMBL116844 0.89 THRB (0.51) PPARALMNAL3MBTL1MAPK1MAPT
SCHEMBL15650169 0.87 PPARA (0.66) PPARALMNAL3MBTL1MAPK1GAA
SCHEMBL12793181 0.86 HDAC1 (0.50) PPARALMNAMAPTRAB9ASMN1; SMN2
SCHEMBL14015406 0.86 PTPRC (0.49) PPARALMNAL3MBTL1MAPK1GAA
SCHEMBL10050672 0.86 PPARG (0.46) PPARALMNAL3MBTL1MAPK1GAA
SCHEMBL12455574 0.86 MAPT (0.57) PPARALMNAL3MBTL1MAPK1MAPT
SCHEMBL18219828 0.85 KDM4E (0.48) PPARALMNAMAPTPKMKDM4E

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
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed