SCHEMBL3345886

SCHEMBL3345886

C[CH]COP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CETP P11597 3/20 0.44
ELANE P08246 1/20 0.43
SRC P12931 1/20 0.41
FOLH1 Q04609 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
MAOB P27338 1/20 0.37
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37

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
SCHEMBL14556164 0.85 TSHR (0.55) TSHRCETPELANESRCFOLH1
SCHEMBL206609 0.84 TSHR (0.68) TSHRCETPELANESRCALDH1A1
SCHEMBL11276825 0.82 TSHR (0.52) TSHRCETPELANESRCPDPK1
SCHEMBL3341018 0.82 TSHR (0.52) TSHRCETPELANESRCPDPK1
SCHEMBL743706 0.79 TSHR (0.57) TSHRCETPELANE
SCHEMBL2980165 0.79 TSHR (0.57) TSHRCETPELANE
SCHEMBL5379773 0.79 TSHR (0.61) TSHRCETPELANESRCALDH1A1
SCHEMBL18422870 0.78 TSHR (0.47) TSHRCETPELANESRCMAOB
SCHEMBL22905969 0.77 TSHR (0.50) TSHRCETPELANESRCFOLH1
SCHEMBL991032 0.77 TSHR (0.59) TSHRCETPELANESRCFOLH1

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-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 WO disclosed