SCHEMBL13869282

SCHEMBL13869282

CC(C)(C)c1ccc2c(ccc3oc(=O)c(-c4cccc(-c5ccc(-c6cc7ccccc7oc6=O)cc5)c4)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MAOB P27338 3/20 0.50
▸ GAPDH P04406 2/20 0.47
▸ NPC1 O15118 7/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL13869288 0.90 MAPT (0.53) ALDH1A1KDM4EMAPTMAOBGAPDH
SCHEMBL13869238 0.89 MAPT (0.51) ALDH1A1KDM4EMAPTMAOBGAPDH
SCHEMBL13869313 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMAOBHPGD
SCHEMBL13869270 0.86 MAOB (0.44) ALDH1A1RAB9AKDM4EMAPTMAOB
SCHEMBL13870253 0.81 ALDH1A1 (0.42) ALDH1A1RAB9AKDM4EMAPTMAOB
SCHEMBL13869828 0.81 ALDH1A1 (0.42) ALDH1A1RAB9AKDM4EMAPTMAOB
SCHEMBL13869554 0.80 KDM4E (0.50) ALDH1A1RAB9AKDM4EMAPTMAOB
SCHEMBL13869512 0.80 MAPT (0.43) ALDH1A1RAB9AKDM4EMAPTMAOB
SCHEMBL13869636 0.79 MAOB (0.46) ALDH1A1RAB9AKDM4EMAPTMAOB
SCHEMBL13869378 0.78 KDM4E (0.45) ALDH1A1RAB9AKDM4EMAPTMAOB

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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