SCHEMBL9633601

SCHEMBL9633601

COc1ccc(CC(C)=O)cc1S(=O)(=O)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.60
TSHR P16473 4/20 0.60
ALDH1A1 P00352 3/20 0.60
GAA P10253 3/20 0.60
KDM4E B2RXH2 2/20 0.60
RAB9A P51151 2/20 0.60
HPGD P15428 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 3/20 0.56
NPBWR1 P48145 1/20 0.56
UBE2N P61088 1/20 0.55
MAPT P10636 1/20 0.54
USP2 O75604 1/20 0.53

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
SCHEMBL9633286 0.99 TSHR (0.62) POLBTSHRALDH1A1GAAKDM4E
SCHEMBL9631897 0.90 ALDH1A1 (0.60) POLBTSHRALDH1A1GAAL3MBTL1
SCHEMBL9632623 0.89 TSHR (0.69) POLBTSHRALDH1A1L3MBTL1KMT2A
SCHEMBL9632879 0.89 TSHR (0.53) POLBTSHRGAAL3MBTL1KMT2A
SCHEMBL48765 0.78 PKM (0.57) TSHRALDH1A1GAAHPGDL3MBTL1
SCHEMBL30610782 0.78 PKM (0.57) TSHRALDH1A1GAAHPGDL3MBTL1
SCHEMBL30997420 0.78 CA5A (0.47) POLBTSHRALDH1A1GAAHPGD
SCHEMBL4660848 0.78 CA5A (0.47) POLBTSHRALDH1A1GAAHPGD
SCHEMBL7661631 0.77 RAB9A (0.73) POLBTSHRALDH1A1GAAKDM4E
SCHEMBL1001171 0.76 RAB9A (0.72) POLBTSHRALDH1A1GAAKDM4E

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