SCHEMBL13680987

SCHEMBL13680987

CC(C)(C)OC(=O)NCc1ccc(-c2ccc(CCC=O)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SUCNR1 Q9BXA5 6/20 0.41
NAMPT P43490 2/20 0.40
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
DDAH1 O94760 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATR Q13535 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6370655 0.82 L3MBTL1 (0.50) HDAC1HDAC6L3MBTL1NAMPTSDCBP
SCHEMBL13680609 0.80 HDAC1 (0.47) HDAC1HDAC6L3MBTL1SUCNR1NAMPT
SCHEMBL13681012 0.77 PSMB8 (0.35) HDAC1HDAC6KDM4EALDH1A1MAPT
SCHEMBL6391730 0.75 KDM4E (0.47) SUCNR1NAMPTKDM4EALDH1A1MAPT
SCHEMBL694492 0.75 L3MBTL1 (0.53) HDAC1HDAC6L3MBTL1NAMPTSDCBP
SCHEMBL13681009 0.74 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPKMDDAH1
SCHEMBL3180689 0.74 L3MBTL1 (0.61) HDAC1HDAC6L3MBTL1NAMPTSDCBP
SCHEMBL13680875 0.74 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPKMDDAH1
SCHEMBL3307112 0.74 L3MBTL1 (0.52) HDAC1L3MBTL1NAMPTSDCBPSDC2
SCHEMBL13680876 0.73 ALDH1A1 (0.55) KDM4EALDH1A1MAPTPKMDDAH1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed