SCHEMBL13869626

SCHEMBL13869626

Cn1c(-c2cc3c4ccccc4c4ccccc4c3oc2=O)ccc1-c1c2ccccc2c(-c2c3ccccc3c(-c3ccc(-c4cc5c(ccc6cc(C(C)(C)C)ccc65)oc4=O)cc3)c3ccccc23)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.36
▸ SIRT1 Q96EB6 5/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ CASP1 P29466 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33

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 0.88 SIRT2 (0.36) SIRT2SIRT1ALDH1A1KDM4EMAPT
SCHEMBL13869584 0.85 MAPT (0.35) SIRT2SIRT1ALDH1A1KDM4EMAPT
SCHEMBL13869780 0.85 ALDH1A1 (0.34) SIRT2SIRT1ALDH1A1KDM4EMAPT
SCHEMBL13869731 0.84 SIRT2 (0.38) SIRT2SIRT1ALDH1A1KDM4EMAPT
SCHEMBL13869280 0.84 SIRT2 (0.42) SIRT2SIRT1ALDH1A1KDM4EMAPT
SCHEMBL13869405 0.80 SIRT2 (0.34) SIRT2SIRT1ALDH1A1KDM4EMAPT
SCHEMBL13869617 0.78 KDM4E (0.44) SIRT2SIRT1ALDH1A1KDM4EMAPT
SCHEMBL13869270 0.78 MAOB (0.44) ALDH1A1KDM4EMAPTMEN1POLB
SCHEMBL13869378 0.77 KDM4E (0.45) SIRT2SIRT1ALDH1A1KDM4EMAPT
SCHEMBL13869313 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMEN1POLB

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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