SCHEMBL6656919

SCHEMBL6656919

CC(C)(CCCCOc1ccc(Cl)cc1)C(=O)Cl

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.60
CPT1A P50416 1/20 0.48
FDPS P14324 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 6/20 0.44

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
SCHEMBL28710418 0.83 PPARA (0.84) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10683825 0.83 PPARA (0.63) PPARAL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL11012230 0.81 PPARA (0.73) PPARA
SCHEMBL10685488 0.81 SMN1; SMN2 (0.53) PPARAMEN1KMT2AHRH3
SCHEMBL11093079 0.78 PPARA (0.73) PPARAL3MBTL1CYP1A2
SCHEMBL7619484 0.78 PPARA (0.57) PPARACPT1AMEN1KMT2AHRH3
SCHEMBL10686870 0.78 HRH3 (0.51) PPARAHRH3
SCHEMBL21992682 0.78 PPARA (0.72) PPARAL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10680044 0.77 S1PR1 (0.52) PPARAL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL11035881 0.77 PPARA (0.74) PPARAMEN1KMT2ACYP1A2CYP3A4

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-0695741-B1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 2004-06-16 EP disclosed
EP-0695741-A1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1996-02-07 EP disclosed