SCHEMBL3569336

SCHEMBL3569336

CCOC(=O)c1cc2ccc(C(C(=O)O)(C(=O)O)C(C(C)(C)C)C(C)(C)C)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.44
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 2/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
STING1 Q86WV6 3/20 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
SCHEMBL3502515 0.84 PTPN2 (0.48) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL3820707 0.82 PTPN2 (0.52) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL3573978 0.82 PTPN2 (0.52) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL3613052 0.80 PTPN2 (0.55) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL2080982 0.79 PTPN2 (0.48) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL3569333 0.76 PTPN2 (0.46) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL8250276 0.76 HDAC1 (0.60) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL3565432 0.75 PTPN2 (0.50) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL2082522 0.75 ESR1 (0.52) PTPN2MAPTKDM4ETDP1L3MBTL1
SCHEMBL191958 0.75 HDAC1 (0.51) PTPN2MAPTKDM4ETDP1L3MBTL1

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
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed