SCHEMBL16744002

SCHEMBL16744002

COC(Cc1ccc(OCc2ccccc2)cc1)C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 4/20 0.61
MAOB P27338 2/20 0.57
LTA4H P09960 2/20 0.57
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
ALOX5 P09917 2/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
LAP3 P28838 1/20 0.53
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5606931 0.90 PPARA (0.74) PPARAPPARGPPARDMAOBLTA4H
Ammonia Solution, Strong SCHEMBL5606255 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H
SCHEMBL5607112 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H
SCHEMBL5606778 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H
SCHEMBL5607555 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H
SCHEMBL5606264 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H
SCHEMBL5606732 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H
Rubidium SCHEMBL5607457 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H
SCHEMBL5607451 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H
SCHEMBL5607778 0.89 PPARA (0.72) PPARAPPARGPPARDMAOBLTA4H

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
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed