SCHEMBL13869795

SCHEMBL13869795

CC1(C)c2ccc(-c3cc4c(ccc5ccccc54)oc3=O)cc2-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ MAPT P10636 6/20 0.53
▸ HPGD P15428 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ MAOB P27338 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GAA P10253 4/20 0.47
▸ GLA P06280 3/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46

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
SCHEMBL13869266 0.84 ALDH1A1 (0.66) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869536 0.83 MAPT (0.49) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869796 0.82 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869335 0.82 ALDH1A1 (0.64) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869249 0.81 KDM4E (0.67) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869508 0.81 KDM4E (0.66) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869798 0.81 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869286 0.80 KDM4E (0.65) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869799 0.80 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL4379904 0.80 KDM4E (0.72) KDM4EALDH1A1MAPTHPGDALOX15

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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