SCHEMBL4658534

SCHEMBL4658534

Cc1ccc(-n2cccc2C(=O)O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
APEX1 P27695 1/20 0.53
KDM4E B2RXH2 2/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
DNMT1 P26358 1/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
HTT P42858 3/20 0.43
COMT P21964 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL4543897 0.84 POLB (0.50) POLBTDP1L3MBTL1APEX1KDM4E
SCHEMBL4540551 0.84 POLB (0.50) POLBTDP1L3MBTL1APEX1KDM4E
SCHEMBL17572311 0.78 NPSR1 (0.47) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL7630480 0.76 RECQL (0.57) POLBTDP1L3MBTL1APEX1KDM4E
SCHEMBL29286704 0.74 MAPT (0.42) POLBTDP1L3MBTL1APEX1MAPT
SCHEMBL14924781 0.74 PTGS2 (0.46) POLBKDM4EMAPTHTTCOMT
SCHEMBL2069815 0.73 KDM4E (0.47) POLBTDP1L3MBTL1KDM4EMAPT
SCHEMBL4626318 0.72 POLB (0.47) POLBTDP1L3MBTL1APEX1KDM4E
SCHEMBL8306577 0.71 NPSR1 (0.47) POLBTDP1L3MBTL1KDM4EMAPT
SCHEMBL4540024 0.71 POLB (0.53) POLBTDP1L3MBTL1APEX1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO disclosed