SCHEMBL9150772

SCHEMBL9150772

CCOC(=O)c1ccc2c(c1)C(=O)c1ccc(O)cc1-2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA7 P43166 5/20 0.57
CA9 Q16790 5/20 0.57
CA14 Q9ULX7 5/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ESR1 P03372 2/20 0.57
ESR2 Q92731 2/20 0.57
HTT P42858 1/20 0.52
MAOA P21397 1/20 0.51
UGT1A1 P22309 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL5846673 0.89 MAPT (0.68) MAPTCA12CA1CA2CA7
SCHEMBL4923617 0.87 MAPT (0.66) MAPTCA12CA1CA2CA7
SCHEMBL2268884 0.85 MAPT (0.75) MAPTCA12CA1CA2CA7
SCHEMBL2525113 0.78 MAPT (0.55) MAPTCA12CA1CA2CA7
SCHEMBL9148081 0.77 MAPT (0.55) MAPTCA12CA1CA2CA7
SCHEMBL9154817 0.77 MAPT (0.52) MAPTCA12CA1CA2CA7
SCHEMBL11625037 0.77 LMNA (0.62) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL9354610 0.77 MAPT (0.54) MAPTCA12CA1CA2CA7
SCHEMBL25270871 0.76 ESR2 (0.90) MAPTCA1CA2CA7CA9
SCHEMBL4919505 0.75 MAPT (0.62) MAPTNPC1RAB9AALDH1A1LMNA

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-0442748-B1 Improvements in and relating to leukotriene antagonists LILLY CO ELI (US) 1995-01-11 EP disclosed
EP-0442748-A1 Improvements in and relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
US-4996230-A Antiallergens, antiinflammatory agent ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed