SCHEMBL7433558

SCHEMBL7433558

CCOc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
WDR5 P61964 1/20 0.49
ALDH1A1 P00352 6/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
RCE1 Q9Y256 1/20 0.46

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
SCHEMBL3873090 0.85 MAPK1 (0.56) S1PR3MAPK1LMNARAB9AKDM4E
SCHEMBL18891249 0.82 MAPK1 (0.59) S1PR3MAPK1LMNARAB9AWDR5
SCHEMBL7003785 0.82 MAPK1 (0.53) S1PR3MAPK1LMNARAB9AKDM4E
SCHEMBL29017033 0.80 S1PR3 (0.57) S1PR3MAPK1LMNARAB9AKDM4E
SCHEMBL2574654 0.80 S1PR3 (0.57) S1PR3MAPK1LMNARAB9AKDM4E
SCHEMBL5038152 0.79 S1PR3 (0.56) S1PR3MAPK1LMNARAB9ANPSR1
SCHEMBL30823666 0.79 S1PR3 (0.56) S1PR3MAPK1LMNARAB9AKDM4E
SCHEMBL4268302 0.79 S1PR3 (0.56) S1PR3MAPK1LMNARAB9AKDM4E
SCHEMBL3714577 0.79 NPSR1 (0.51) KDM4ENPSR1ALDH1A1GAA
SCHEMBL7003317 0.79 LMNA (0.56) S1PR3MAPK1LMNARAB9AWDR5

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-1129093-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF IMPOTENCE Dong A Pharmaceutical Co. Ltd. (KR) 2001-09-05 EP disclosed
WO-2000027848-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF IMPOTENCE DONG A PHARM. CO., LTD. (KR) 2000-05-18 WO disclosed