SCHEMBL13869780

SCHEMBL13869780

Cn1c(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5cc6c(ccc7cc(C(C)(C)C)ccc76)oc5=O)cc4)ccc2-3)ccc1-c1cc2c3ccccc3c3ccccc3c2oc1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ SIRT1 Q96EB6 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAOB P27338 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 0.89 SIRT2 (0.36) ALDH1A1MAPTSIRT2SIRT1KDM4E
SCHEMBL13869731 0.85 SIRT2 (0.38) ALDH1A1MAPTSIRT2SIRT1KDM4E
SCHEMBL13869626 0.85 SIRT2 (0.36) ALDH1A1MAPTSIRT2SIRT1KDM4E
SCHEMBL13869280 0.84 SIRT2 (0.42) ALDH1A1MAPTSIRT2SIRT1KDM4E
SCHEMBL13869584 0.82 MAPT (0.35) ALDH1A1MAPTSIRT2SIRT1KDM4E
SCHEMBL13869775 0.81 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL13869805 0.76 MAPT (0.37) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL13869313 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL13869270 0.74 MAOB (0.44) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL13869796 0.74 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1POLB

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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