SCHEMBL4796290

SCHEMBL4796290

COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(I)sc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL4796274 1.00 KDM4E (0.31) KDM4EHTTATMALDH1A1TP53
SCHEMBL2433831 0.91 POLB (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL2433828 0.91 POLB (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL2434814 0.91 KDM4E (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL2434817 0.91 KDM4E (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL2434282 0.88
SCHEMBL2434279 0.88
SCHEMBL2427752 0.87 KDM4E (0.33) KDM4EHTTATMALDH1A1TP53
SCHEMBL2427754 0.87 KDM4E (0.33) KDM4EHTTATMALDH1A1TP53
SCHEMBL4344584 0.82 ALDH1A1 (0.41) KDM4EHTTATMALDH1A1TP53

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
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed