SCHEMBL13869313

SCHEMBL13869313

CC(C)(C)c1ccc2c(ccc3oc(=O)c(-c4ccc(-c5ccc(-c6cc7c(ccc8cc(C(C)(C)C)ccc87)oc6=O)cc5)cc4)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MAOB P27338 8/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ESR2 Q92731 1/20 0.40
▸ PON1 P27169 2/20 0.40
▸ MIF P14174 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ ADAM17 P78536 1/20 0.39

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 0.99 MAOB (0.44) ALDH1A1MAPTMAOBADORA3KDM4E
SCHEMBL13869238 0.90 MAPT (0.51) ALDH1A1MAPTMAOBKDM4EHPGD
SCHEMBL13869512 0.90 MAPT (0.43) ALDH1A1MAPTMAOBADORA3KDM4E
SCHEMBL13870253 0.89 ALDH1A1 (0.42) ALDH1A1MAPTMAOBKDM4EHPGD
SCHEMBL13869288 0.88 MAPT (0.53) ALDH1A1MAPTMAOBKDM4EHPGD
SCHEMBL13869282 0.87 ALDH1A1 (0.50) ALDH1A1MAPTMAOBKDM4EHPGD
SCHEMBL13869683 0.87 ALDH1A1 (0.39) ALDH1A1MAPTMAOBADORA3KDM4E
SCHEMBL13869653 0.87 ALDH1A1 (0.39) ALDH1A1MAPTMAOBADORA3KDM4E
SCHEMBL13869796 0.86 ALDH1A1 (0.39) ALDH1A1MAPTMAOBADORA3KDM4E
SCHEMBL13869775 0.86 ALDH1A1 (0.41) ALDH1A1MAPTMAOBADORA3KDM4E

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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