SCHEMBL4599586

SCHEMBL4599586

O=C(Oc1cccc(OS(=O)(=O)c2ccccc2)c1)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.69
EPHX1 P07099 2/20 0.65
KMT2A Q03164 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
MEN1 O00255 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
ATM Q13315 1/20 0.54
TSHR P16473 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
TP53 P04637 1/20 0.51
MAOB P27338 2/20 0.49

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
SCHEMBL4598889 0.90 CYP1A2 (0.61) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL4599457 0.84 HSD17B10 (0.66) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL5101418 0.80 KMT2A (0.82) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL4197062 0.79 EPHX1 (1.00) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL4599141 0.77 HSD17B10 (0.70) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL4599565 0.75 EPHX1 (0.68) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL4598628 0.75 EPHX1 (0.68) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL28372646 0.75 EPHX1 (0.68) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL4599459 0.75 EPHX1 (0.68) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A
SCHEMBL5649217 0.74 HSD17B10 (0.81) HSD17B10EPHX1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed