SCHEMBL9632623

SCHEMBL9632623

COc1ccc(CC(C)=O)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
UBE2N P61088 1/20 0.69
POLB P06746 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.66
THRB P10828 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
USP2 O75604 1/20 0.63
HTT P42858 1/20 0.63
APAF1 O14727 1/20 0.61
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL9633601 0.89 POLB (0.60) TSHRUBE2NPOLBL3MBTL1KMT2A
SCHEMBL9633286 0.88 TSHR (0.62) TSHRUBE2NPOLBSMN1; SMN2L3MBTL1
SCHEMBL9631897 0.87 ALDH1A1 (0.60) TSHRUBE2NPOLBSMN1; SMN2L3MBTL1
SCHEMBL9632879 0.86 TSHR (0.53) TSHRUBE2NPOLBSMN1; SMN2L3MBTL1
SCHEMBL11919283 0.85 ALDH1A1 (0.68) TSHRUBE2NPOLBSMN1; SMN2L3MBTL1
SCHEMBL3963711 0.79 POLB (0.71) TSHRPOLBSMN1; SMN2L3MBTL1MEN1
SCHEMBL23657915 0.78 MAPK10 (0.68) TSHRPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL15120570 0.78 KMT2A (0.81) TSHRPOLBL3MBTL1MEN1KMT2A
SCHEMBL3962681 0.78 POLB (0.77) TSHRPOLBSMN1; SMN2L3MBTL1MEN1
SCHEMBL6595896 0.77 ALDH1A1 (0.62) TSHRUBE2NPOLBSMN1; SMN2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed