SCHEMBL13869731

SCHEMBL13869731

Cn1c(-c2ccc3c4ccc(-c5ccc(-c6cc7c(ccc8cc(C(C)(C)C)ccc87)oc6=O)cc5)cc4n(-c4ccccc4)c3c2)ccc1-c1cc2c3ccccc3c3ccccc3c2oc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.38
▸ SIRT1 Q96EB6 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPT P10636 5/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL13869668 0.93 SIRT2 (0.36) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL13869780 0.85 ALDH1A1 (0.34) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL13869707 0.84 SIRT2 (0.43) SIRT2SIRT1ALDH1A1MAPTMAPK1
SCHEMBL13869626 0.84 SIRT2 (0.36) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL13869584 0.81 MAPT (0.35) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL13869280 0.81 SIRT2 (0.42) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL13869728 0.79 SIRT2 (0.43) SIRT2SIRT1ALDH1A1MAPTMAPK1
SCHEMBL13869766 0.79 MAPT (0.36) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL13869653 0.76 ALDH1A1 (0.39) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL13869313 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDALOX15

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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