SCHEMBL7444372

SCHEMBL7444372

Cc1cc(OCc2ccccc2)cc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.53
F10 P00742 2/20 0.53
GRM5 P41594 1/20 0.51
SPHK1 Q9NYA1 6/20 0.48
SPHK2 Q9NRA0 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AR P10275 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MAOB P27338 1/20 0.45

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
SCHEMBL4622036 0.93 MEN1 (0.54) F2SPHK1SPHK2MEN1KMT2A
SCHEMBL7441047 0.86 F2 (0.56) F2F10GRM5ARMAOB
SCHEMBL4642756 0.83 TDP1 (0.55) F2CA12CA2MAOB
SCHEMBL7419857 0.83 GRM5 (0.51) F2F10GRM5SPHK1SPHK2
SCHEMBL14878116 0.83 F2 (0.55) F2
SCHEMBL7435413 0.83 F2 (0.74) F2F10GRM5
SCHEMBL13841458 0.83 GRM5 (0.62) GRM5MEN1KMT2AMAOB
SCHEMBL8160877 0.82 F2 (0.54) F2
SCHEMBL7377227 0.82 F2 (0.54) F2
SCHEMBL3639421 0.82 F2 (0.53) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed