SCHEMBL9541482

SCHEMBL9541482

CCC(C)([O])Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTA4H P09960 3/20 0.39
PPARA Q07869 3/20 0.39
CA4 P22748 1/20 0.39
RIPK1 Q13546 1/20 0.37
TSHR P16473 1/20 0.36
KCNA3 P22001 1/20 0.36
ALOX15 P16050 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL183720 0.79 LTA4H (0.40) PPARGL3MBTL1NPSR1LTA4HPPARA
SCHEMBL3081094 0.79 LTA4H (0.40) PPARGL3MBTL1NPSR1LTA4HPPARA
SCHEMBL1453725 0.79 LTA4H (0.40) PPARGL3MBTL1NPSR1LTA4HPPARA
SCHEMBL1357067 0.78 PPARG (0.50) PPARGPPARARIPK1
SCHEMBL1358318 0.78 CA4 (0.43) PPARGL3MBTL1LTA4HPPARACA4
SCHEMBL11660545 0.77 PPARG (0.44) PPARGLTA4HPPARA
SCHEMBL13363806 0.76 LTA4H (0.38) PPARGL3MBTL1NPSR1LTA4HPPARA
SCHEMBL2726491 0.76 LTA4H (0.38) PPARGL3MBTL1NPSR1LTA4HPPARA
SCHEMBL5286690 0.76 TAAR1 (0.40) PPARGL3MBTL1NPSR1LTA4HPPARA
SCHEMBL6660485 0.76 PPARG (0.38) PPARGL3MBTL1NPSR1LTA4HPPARA

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-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed