SCHEMBL13680609

SCHEMBL13680609

Cc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 3/20 0.45
SUCNR1 Q9BXA5 5/20 0.45
NAMPT P43490 2/20 0.45
GAA P10253 1/20 0.44
SDCBP O00560 1/20 0.43
SDC2 P34741 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KLKB1 P03952 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ATR Q13535 1/20 0.41

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
SCHEMBL3180689 0.81 L3MBTL1 (0.61) HDAC1HDAC6L3MBTL1NAMPTGAA
SCHEMBL13680987 0.80 HDAC1 (0.42) HDAC1HDAC6L3MBTL1HPGDSUCNR1
SCHEMBL13680490 0.80 PSMB8 (0.54) HDAC1HDAC6HPGDNAMPTGAA
SCHEMBL22919091 0.79 HDAC1 (0.59) HDAC1HDAC6L3MBTL1LMNA
SCHEMBL5796279 0.78 L3MBTL1 (0.56) HDAC1L3MBTL1HPGDNAMPTGAA
SCHEMBL1691047 0.77 HDAC1 (0.67) HDAC1HDAC6L3MBTL1NAMPTGAA
SCHEMBL2567630 0.77 HDAC1 (0.57) HDAC1HDAC6L3MBTL1NAMPTGAA
SCHEMBL3028012 0.77 PKM (0.45) L3MBTL1KDM4EALDH1A1CA1
SCHEMBL30615060 0.77 ATR (0.53) HDAC1HDAC6L3MBTL1NAMPTGAA
SCHEMBL15110028 0.77 NAMPT (0.50) HDAC1HDAC6L3MBTL1NAMPTGAA

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