SCHEMBL11026344

SCHEMBL11026344

CCCc1cc(Cl)c2oc(C(OC)c3ccc(C(=O)OCC)cc3)c(C)c2c1OCC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.37
ADRB3 P13945 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
POLB P06746 2/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL9739138 0.72 ALOX5 (0.68) ALOX5ALOX15MAPTPOLBLMNA
SCHEMBL9742153 0.66 ALOX5 (0.55) ALOX5ALOX15KDM4EPPARGPPARA
SCHEMBL9739854 0.66 ALOX5 (0.64) ALOX5ALOX15MAPTPOLBLMNA
SCHEMBL5105195 0.64 PTPN1 (0.44) KDM4EPPARGPPARAHSD17B10CA12
SCHEMBL9740742 0.63 ALOX5 (0.37) ALOX5ALOX15MAPTTP53PPARG
SCHEMBL9739893 0.62 ALOX5 (0.54) ALOX5ALOX15MAPTKDM4ENPC1
SCHEMBL9739158 0.60 PRKCI (0.42) ALOX5TSHRKDM4EPPARGPPARA
SCHEMBL6941063 0.60 GAA (0.64) MAPTTSHRTP53KDM4EPOLB
SCHEMBL3609779 0.59 L3MBTL1 (0.48) ALOX5MAPTKDM4ENPC1RAB9A
SCHEMBL570567 0.58 LMNA (0.67) MAPTNPC1RAB9ASMN1; SMN2LMNA

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