SCHEMBL11022249

SCHEMBL11022249

CCCc1cc(Cl)c2oc(C(OC)c3ccc(C(=O)OCC)cc3)c(C)c2c1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 5/20 0.34
TP53 P04637 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL11026344 0.88 ALOX5 (0.37) ALOX5ALOX15MAPTTP53PPARG
SCHEMBL9740950 0.71 ALOX5 (0.46) ALOX5ALOX15PPARGPPARAKDM4E
SCHEMBL9742551 0.71 ALOX5 (0.61) ALOX5ALOX15MAPTRAB9ANPC1
SCHEMBL9740742 0.70 ALOX5 (0.37) ALOX5ALOX15MAPTTP53PPARG
SCHEMBL9740445 0.69 ALOX5 (0.64) ALOX5ALOX15MAPTRAB9ANPC1
SCHEMBL9739661 0.69 ALOX5 (0.72) ALOX5ALOX15
SCHEMBL10513827 0.68 ALOX5 (0.45) ALOX5ALOX15MAPTTP53RAB9A
SCHEMBL9742153 0.66 ALOX5 (0.55) ALOX5ALOX15PPARGPPARAHSD17B10
SCHEMBL9742519 0.64 ALOX5 (0.69) ALOX5ALOX15
SCHEMBL9739893 0.64 ALOX5 (0.54) ALOX5ALOX15MAPTRAB9ANPC1

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-0165810-A2 Benzofuran and benzothiophene derivatives, their use in inhibiting mammalian leukotriene biosynthesis, and pharmaceutical compositions containing these derivatives MERCK FROSST CANADA INC. (CA) 1985-12-27 EP disclosed