SCHEMBL9632885

SCHEMBL9632885

CCOc1ccc(CC(C)=O)cc1S(=O)(=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 6/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
CYP2D6 P10635 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GSTO1 P78417 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CREBBP Q92793 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9125107 0.86 CA5A (0.48) TSHRALDH1A1HTTLMNAKMT2A
SCHEMBL9632900 0.83 CA12 (0.48) MAPTALDH1A1HTTCYP2C19CYP1A2
SCHEMBL9632495 0.81 ALDH1A1 (0.43) MAPTTSHRALDH1A1LMNAKMT2A
SCHEMBL27685761 0.78 ALDH1A1 (0.58) MAPTTSHRALDH1A1HTTLMNA
SCHEMBL9632442 0.76 TSHR (0.60) TSHRALDH1A1KMT2AMEN1CYP1A2
SCHEMBL2436598 0.76 TSHR (0.55) MAPTTSHRALDH1A1HTTLMNA
SCHEMBL17577750 0.75 TAS1R3 (0.48) MAPTTSHRALDH1A1HTTLMNA
SCHEMBL10725628 0.74 CREBBP (0.62) MAPTTSHRALDH1A1HTTKMT2A
SCHEMBL10725513 0.74 MAPT (0.54) MAPTTSHRALDH1A1HTTLMNA
SCHEMBL9633753 0.73 ADRA1D (0.41) MAPTALDH1A1HTTLMNAKMT2A

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