SCHEMBL5230446

SCHEMBL5230446

CC(C)(C)OC(=O)n1c(Br)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.38
NR1H3 Q13133 3/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GRM6 O15303 1/20 0.34

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
SCHEMBL2156309 0.93 ALDH1A1 (0.43) NR1H2NR1H3ALDH1A1LMNAKDM4E
SCHEMBL2986524 0.76 ALDH1A1 (0.40) NR1H2NR1H3ALDH1A1LMNAKDM4E
SCHEMBL2156914 0.75 ALDH1A1 (0.39) ALDH1A1LMNAKDM4E
SCHEMBL2157504 0.73 KDM4E (0.39) ALDH1A1LMNAKDM4EGRM6
SCHEMBL2157091 0.72 KDM4E (0.43) ALDH1A1LMNAKDM4E
SCHEMBL2998154 0.70 MEN1 (0.40) ALDH1A1LMNABCHEKDM4E
SCHEMBL2156666 0.70 KMT2A (0.39) ALDH1A1LMNAKDM4E
SCHEMBL26963375 0.69 TSHR (0.39) ALDH1A1LMNAKDM4E
SCHEMBL2157158 0.69 KDM4E (0.42) ALDH1A1LMNAKDM4E
SCHEMBL28786590 0.69 DAO (0.36) NR1H2NR1H3ALDH1A1BCHEKDM4E

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
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP disclosed