SCHEMBL4779360

SCHEMBL4779360

COCC(C)Nc1cc(-c2ccccc2)sc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
KDM4E B2RXH2 8/20 0.62
ALDH1A1 P00352 5/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 5/20 0.59
HTT P42858 2/20 0.56
ATM Q13315 1/20 0.56
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2871252 0.89 MAPT (0.63) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2157471 0.86 MAPT (0.69) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2879041 0.85 KDM4E (0.53) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL14030825 0.82 MAPT (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL4731382 0.81 KDM4E (0.41) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL14505531 0.81 ALDH1A1 (0.56) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2157496 0.80 MAPT (0.76) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL14867141 0.80 KDM4E (0.52) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL4730437 0.78 HCAR3 (0.41) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL5368759 0.77 MAPT (1.00) MAPTKDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 WO disclosed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 WO disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed