SCHEMBL8405100

SCHEMBL8405100

COC(=O)Cc1ccc(OCC(C)C(N)C(O)c2cccc(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GLA P06280 2/20 0.39
CNR1 P21554 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL8405974 0.89 PPARG (0.44) ADRB2ADRB1LMNATDP1CNR1
SCHEMBL8406235 0.89 ADRB2 (0.39) ALDH1A1ADRB2ADRB1LMNATDP1
SCHEMBL8402071 0.88 ADRB2 (0.51) ALDH1A1ADRB2ADRB1GLAADRA1D
SCHEMBL8405122 0.88 MAOB (0.41) ADRB2ADRB1LMNATDP1GLA
SCHEMBL27296585 0.87 NPY5R (0.44) ALDH1A1KMT2AADRB2ADRB1LMNA
SCHEMBL8405959 0.87 NPY5R (0.44) ALDH1A1KMT2AADRB2ADRB1LMNA
SCHEMBL8406380 0.87 NPY5R (0.44) ALDH1A1KMT2AADRB2ADRB1LMNA
SCHEMBL8405110 0.86 NPY5R (0.45) KMT2AADRB2ADRB1LMNATDP1
SCHEMBL8406898 0.85 LMNA (0.43) ALDH1A1KMT2ALMNAKDM4ECYP1A2
SCHEMBL8402266 0.84 PPARG (0.41) ADRB2ADRB1LMNATDP1GLA

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 2 patents. 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
US-5576340-A Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-11-19 US disclosed