SCHEMBL5230440

SCHEMBL5230440

CC(C)(C)OC(=O)n1c(Br)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
EPHX1 P07099 1/20 0.31
PDE4B Q07343 1/20 0.31
GPR35 Q9HC97 1/20 0.30
UCHL1 P09936 1/20 0.30
USP30 Q70CQ3 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
LIPE Q05469 2/20 0.30
HPGD P15428 1/20 0.30
FEN1 P39748 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
SCHEMBL2156302 0.93 USP30 (0.35) KDM4EMAPTTHRBEPHX1PDE4B
SCHEMBL5230446 0.76 NR1H2 (0.38) KDM4EGPR35NR1H2NR1H3
SCHEMBL2156912 0.76 NR1H4 (0.31) KDM4EUCHL1USP30HPGD
SCHEMBL2986521 0.75 NR1H2 (0.36) MAPTTHRBUSP30NR1H2
SCHEMBL2157086 0.74 KDM4E (0.35) KDM4EMAPTHPGDFEN1
SCHEMBL2157499 0.73 KDM4E (0.34) KDM4EMAPTHPGD
SCHEMBL5443997 0.73 ALDH1A1 (0.39) KDM4EMAPTUCHL1USP30HPGD
SCHEMBL2156661 0.71 ALDH1A1 (0.34) KDM4EMAPTHPGD
SCHEMBL2157156 0.70 KDM4E (0.35) KDM4EMAPTHPGD
SCHEMBL2156309 0.70 ALDH1A1 (0.43) KDM4EMAPTNR1H2NR1H3HPGD

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