SCHEMBL11229324

SCHEMBL11229324

O=C(O)c1ccc2oc(=O)c(C(=O)c3cc4cc(C(=O)O)ccc4oc3=O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
MAOA P21397 4/20 0.60
CA12 O43570 4/20 0.58
CA1 P00915 4/20 0.58
CA6 P23280 4/20 0.58
CA7 P43166 4/20 0.58
CA9 Q16790 4/20 0.58
CA14 Q9ULX7 4/20 0.58
CA5B Q9Y2D0 4/20 0.58
GPR35 Q9HC97 4/20 0.58
CA4 P22748 3/20 0.58
CA2 P00918 3/20 0.58
CA5A P35218 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
CYP1A2 P05177 1/20 0.58

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
SCHEMBL11266285 0.92 MAOA (0.71) MAOBMAOACA12CA1CA6
SCHEMBL27080004 0.87 MAOB (0.68) MAOBMAOACA12CA1CA6
SCHEMBL29362684 0.84 MAOA (0.54) MAOBMAOACA12CA1CA6
SCHEMBL11214948 0.84 MAOB (0.54) MAOBMAOACA12CA1CA6
SCHEMBL29575367 0.83 CA12 (0.65) MAOBMAOACA12CA1CA6
SCHEMBL6832346 0.83 MAOB (0.76) MAOBMAOACA12CA1CA6
SCHEMBL29707748 0.80 MAOB (0.72) MAOBMAOACA12CA1CA6
SCHEMBL1367700 0.79 MAOA (0.78) MAOBMAOACA12CA1CA6
SCHEMBL1366856 0.78 KDM4E (0.79) MAOBMAOACA12CA1CA9
SCHEMBL1369097 0.78 ATM (0.58) MAOBMAOACA12CA1CA6

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
WO-2021154897-A1 PHOTOHARDENABLE COMPOSITIONS INCLUDING AN UPCONVERTING COMPONENT AND METHODS QUADRATIC 3D, INC. (US) 2021-08-05 WO disclosed
US-4366228-A 3-KETOCOUMARIN DERIVATIVES AS PHOTOSENSITIZERS; ALPHA-PHENYLOXYALKYLENECARBOXYLIC ACIDS AS ACTIVATORS; HIGH SPEED EASTMAN KODAK COMPANY (US) 1982-12-28 US disclosed
US-4289844-A 3-KETO-COUMARIN DERIVATIVES, HIGH SPEED EASTMAN KODAK COMPANY (US) 1981-09-15 US disclosed