SCHEMBL7465135

SCHEMBL7465135

CCON=C(C(C)=C(ON)c1ccccc1C(=COC)C(=O)OC)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
HIF1A Q16665 1/20 0.37
SLC6A5 Q9Y345 4/20 0.37
PPARA Q07869 1/20 0.37
FFAR1 O14842 2/20 0.36
PPARG P37231 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
PSEN1 P49768 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL7465788 0.92 MAOB (0.47) MAOBHIF1AFFAR1SPHK2SPHK1
SCHEMBL7742091 0.92 MAOB (0.47) MAOBHIF1AFFAR1SPHK2SPHK1
SCHEMBL7467521 0.92 MAOB (0.40) MAOBHIF1APPARAALDH1A1MAPT
SCHEMBL7470568 0.92 MAPK14 (0.38) MAOBHIF1APPARAPPARGATM
SCHEMBL7470227 0.91 HIF1A (0.42) MAOBHIF1APPARAPOLBRAB9A
SCHEMBL8544101 0.86 MAOB (0.45) MAOBHIF1AFFAR1SPHK2SPHK1
SCHEMBL8538076 0.86 MAOB (0.45) MAOBHIF1AFFAR1SPHK2SPHK1
SCHEMBL7467262 0.85 MAPK14 (0.39) HIF1AMAPT
SCHEMBL7465129 0.84 MAOB (0.43) MAOBHIF1ASLC6A5PPARAFFAR1
SCHEMBL7465132 0.84 MAOB (0.43) MAOBHIF1ASLC6A5PPARAFFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865424-B1 PESTICIDES BAYER AG (DE) 2002-09-18 EP disclosed
EP-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed