SCHEMBL8800969

SCHEMBL8800969

COc1ccc(C(=O)C(C(Cc2ccccc2)c2cccs2)N2CN(C(C(=O)c3ccc(OC)cc3)C(Cc3ccccc3)c3cccs3)CN(C(C(=O)c3ccc(OC)cc3)C(Cc3ccccc3)c3cccs3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 5/20 0.40
MITF O75030 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8800802 0.84 PPARG (0.45) PPARGPPARAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8801699 0.83 PPARG (0.44) PPARGPPARAALDH1A1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8800525 0.82 PPARG (0.43) PPARGPPARAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8800961 0.79 TSHR (0.41) PPARGPPARAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8800504 0.78 PPARG (0.43) PPARGPPARAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9570422 0.78 POLB (0.42) PPARGPPARAALDH1A1LMNAL3MBTL1
SCHEMBL10829590 0.71 PPARG (0.57) PPARGPPARAALDH1A1NPC1RAB9A
SCHEMBL1303238 0.70 ALDH1A1 (0.56) PPARGPPARAALDH1A1NPC1RAB9A
SCHEMBL5217789 0.70 MDM2 (0.69) PPARGPPARAALDH1A1NPC1RAB9A
SCHEMBL6177780 0.70 LDHA (0.56) PPARGPPARAALDH1A1LMNASMN1; SMN2

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
EP-0522956-B1 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI SA (FR) 1997-02-05 EP disclosed
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