SCHEMBL9570422

SCHEMBL9570422

COc1ccc(C(=O)C(OS(C)(=O)=O)C(Cc2ccccc2)c2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 2/20 0.40
MMP1 P03956 2/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
BMP1 P13497 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 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
SCHEMBL8801699 0.84 PPARG (0.44) POLBTDP1PPARGPPARAMAPT
Hydrochloric Acid SCHEMBL8800525 0.83 PPARG (0.43) POLBTDP1PPARGPPARAMAPT
SCHEMBL8800802 0.83 PPARG (0.45) POLBTDP1PPARGPPARAMAPT
SCHEMBL9570425 0.81 LMNA (0.38) POLBTDP1PPARGPPARALMNA
SCHEMBL8800969 0.78 PPARG (0.41) POLBTDP1PPARGPPARALMNA
SCHEMBL8800504 0.78 PPARG (0.43) POLBTDP1PPARGPPARAMAPT
SCHEMBL10829590 0.71 PPARG (0.57) POLBPPARGPPARAMMP1MMP9
SCHEMBL1303238 0.70 ALDH1A1 (0.56) POLBPPARGPPARAMMP1MMP9
SCHEMBL5217789 0.69 MDM2 (0.69) POLBPPARGPPARAMMP1MAPT
SCHEMBL6177780 0.69 LDHA (0.56) POLBTDP1PPARGPPARALMNA

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-0522956-A2 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI (FR) 1993-01-13 EP disclosed