SCHEMBL13869444

SCHEMBL13869444

CC(C)(C)Oc1cc(OC(C)(C)C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cc7c(ccc8cc(C(C)(C)C)ccc87)oc6=O)o5)o4)o3)c(=O)oc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PON1 P27169 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ ADAM17 P78536 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAOB P27338 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL13869524 0.87 KDM4E (0.43) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL13869432 0.86 PON1 (0.39) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL13869278 0.86 ALDH1A1 (0.37) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL13869391 0.79 MAPT (0.37) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL13869270 0.75 MAOB (0.44) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL13869313 0.74 ALDH1A1 (0.44) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL13869636 0.73 MAOB (0.46) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL13869497 0.72 KDM4E (0.33) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13869238 0.72 MAPT (0.51) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL13869378 0.72 KDM4E (0.45) MAPTKDM4EALDH1A1MEN1POLB

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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