SCHEMBL13869554

SCHEMBL13869554

CC(C)(C)c1ccc2c(ccc3oc(=O)c(-c4ccc5cc(-c6nc(-c7ccc8cc(-c9cc%10c(ccc%11ccccc%11%10)oc9=O)ccc8c7)nc(-c7ccc8cc(-c9cc%10c(ccc%11cc(C(C)(C)C)ccc%11%10)oc9=O)ccc8c7)n6)ccc5c4)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.50
▸ ALDH1A1 P00352 8/20 0.50
▸ MAPT P10636 7/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ HPGD P15428 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GAA P10253 3/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MAOB P27338 1/20 0.42

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
SCHEMBL13869270 0.84 MAOB (0.44) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869238 0.83 MAPT (0.51) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869313 0.83 ALDH1A1 (0.44) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869288 0.82 MAPT (0.53) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869512 0.81 MAPT (0.43) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869378 0.81 KDM4E (0.45) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869282 0.80 ALDH1A1 (0.50) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869617 0.80 KDM4E (0.44) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869636 0.80 MAOB (0.46) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL13869707 0.78 SIRT2 (0.43) KDM4EALDH1A1MAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
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