SCHEMBL8406380

SCHEMBL8406380

COC(=O)Cc1ccc(OC[C@H](C)C(N)C(O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
KLK7 P49862 2/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
CNR1 P21554 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NR1H2 P55055 1/20 0.42

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
SCHEMBL27296585 1.00 NPY5R (0.44) NPY5RKLK7LMNATDP1ADRB2
SCHEMBL8405959 1.00 NPY5R (0.44) NPY5RKLK7LMNATDP1ADRB2
SCHEMBL8405110 0.90 NPY5R (0.45) NPY5RKLK7LMNATDP1ADRB2
SCHEMBL8405788 0.89 CNR2 (0.46) KLK7LMNATDP1ADRB2ADRB1
SCHEMBL8405974 0.88 PPARG (0.44) KLK7LMNATDP1ADRB2ADRB1
SCHEMBL8406235 0.88 ADRB2 (0.39) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL8402266 0.88 PPARG (0.41) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL8402071 0.87 ADRB2 (0.51) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL8405100 0.87 MAPT (0.41) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL8405122 0.87 MAOB (0.41) KLK7LMNATDP1ADRB2ADRB1

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-5977374-A 5-(4-hydroxy-OR 4-acetoxy-benzyl)-3- triphenylmethylthiazolidine-2,4-dione and method for producing same SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed