SCHEMBL13875441

SCHEMBL13875441

C=CC(=O)O/C=C\OOCCOC(=O)C(=O)c1ccc(SC)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RCE1 Q9Y256 1/20 0.32
PLK1 P53350 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13875443 0.86 POLB (0.34) KDM4EMAPTALDH1A1PLK1THRB
SCHEMBL13875437 0.85 CES2 (0.41) MAPTTHRBNPSR1
SCHEMBL14845436 0.85 THRB (0.33) ALDH1A1THRB
SCHEMBL13875386 0.84 THRB (0.43) KDM4EMAPTALDH1A1THRBLMNA
SCHEMBL13875424 0.84 RAB9A (0.37) KDM4EMAPTALDH1A1
SCHEMBL13875442 0.83 PLK1 (0.36) KDM4EMAPTALDH1A1PLK1LMNA
SCHEMBL14845445 0.83 THRB (0.32) THRB
SCHEMBL13875419 0.80 MAPT (0.39) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL14845460 0.79 THRB (0.30) THRB
SCHEMBL13875434 0.76 CES2 (0.46) MAPTPLK1

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-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed