SCHEMBL28869121

SCHEMBL28869121

Cc1ccc(C(=O)O)c(-c2ccco2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.52
PTPN2 P17706 1/20 0.50
PTPN6 P29350 1/20 0.50
KDM4E B2RXH2 7/20 0.49
POLB P06746 6/20 0.49
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 3/20 0.49
PKM P14618 2/20 0.49
GAA P10253 2/20 0.49
APEX1 P27695 1/20 0.49
RCE1 Q9Y256 1/20 0.49
CFTR P13569 1/20 0.49
RECQL P46063 2/20 0.47
CTDSP1 Q9GZU7 2/20 0.47
DNMT1 P26358 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL4141035 0.80 PTPN1 (0.51) PTPN1PTPN2PTPN6KDM4EPOLB
SCHEMBL8673355 0.80 CSNK2A1 (0.59) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL1673212 0.79 PTPN1 (0.54) PTPN1PTPN2PTPN6KDM4EPOLB
SCHEMBL27596775 0.78 PTPN1 (0.47) PTPN1PTPN2PTPN6KDM4EPOLB
SCHEMBL18920538 0.77 POLB (0.56) PTPN1PTPN2PTPN6KDM4EPOLB
SCHEMBL3229733 0.75 HDAC7 (0.70) PTPN1KDM4EPOLBALDH1A1L3MBTL1
SCHEMBL14003530 0.74 ALDH1A1 (0.47) KDM4EPOLBALDH1A1L3MBTL1MEN1
SCHEMBL6514220 0.74 KDM4E (0.47) KDM4EPOLBALDH1A1L3MBTL1MEN1
SCHEMBL13912480 0.74 KDM4E (0.73) KDM4EPOLBALDH1A1L3MBTL1MEN1
SCHEMBL6963436 0.73 PTPN1 (0.49) PTPN1PTPN2PTPN6KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293606-A 2, 5-disubstituted furan derivative and application thereof as SIRT protein inhibitor in preparation of medicines 西华大学 2019-02-01 CN disclosed