SCHEMBL8768602

SCHEMBL8768602

CCCCCCCN(CCc1ccc(OCCCC(C)(C)C(=O)O)cc1)C(=O)Nc1c(OC)cccc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.53
PPARG P37231 7/20 0.53
PPARD Q03181 4/20 0.53
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACAT1 P24752 1/20 0.41
SOAT1 P35610 1/20 0.41
PLK1 P53350 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
SCHEMBL8767730 0.92 PPARA (0.46) PPARAPPARGPPARDKDM4ETP53
SCHEMBL8923414 0.86 PPARA (0.56) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL8767593 0.83 PPARA (0.67) PPARAPPARGPPARDPLK1
SCHEMBL8925626 0.79 TSHR (0.49) PPARAPPARGPPARDKDM4ETP53
SCHEMBL8768851 0.78 PPARA (0.67) PPARAPPARGPPARDKDM4ETP53
SCHEMBL10688594 0.78 PPARA (0.60) PPARAS1PR4S1PR1S1PR3S1PR5
SCHEMBL10686096 0.78 PPARA (0.60) PPARAS1PR4S1PR1S1PR3S1PR5
SCHEMBL10687273 0.76 PPARA (0.63) PPARAPPARGS1PR4S1PR1S1PR3
SCHEMBL9256781 0.75 HDAC1 (0.50) SOAT1PLK1
SCHEMBL10685098 0.74 KDM4E (0.72) S1PR4S1PR1S1PR3S1PR5KDM4E

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
EP-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed