SCHEMBL7521489

SCHEMBL7521489

COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.COc1ccc(C[S+]2CCCC2)cc1.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CMA1 P23946 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AGXT P21549 2/20 0.35
LTA4H P09960 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTT P42858 1/20 0.35
LDHA P00338 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
EPHX2 P34913 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL4610413 0.87 IDO1 (0.47) IDO1HRH3SMN1; SMN2AGXTLTA4H
Trifluoromethanesulfonic Acid SCHEMBL3835272 0.81 KCNH2 (0.40) SMN1; SMN2HTTEGFRERBB2
SCHEMBL6762160 0.75 CA1 (0.36) SMN1; SMN2HTTEGFRERBB2
SCHEMBL3384399 0.65 LTA4H (0.44) LTA4HSIGMAR1HTTLDHAEGFR
SCHEMBL1895592 0.64 IDO1 (0.58) IDO1SMN1; SMN2AGXTLTA4HTAAR1
SCHEMBL2603145 0.64 HDAC3 (0.54) HTT
SCHEMBL6306790 0.61 CA4 (0.43) SMN1; SMN2LTA4HHTT
SCHEMBL4854404 0.61 CA4 (0.43) SMN1; SMN2LTA4HHTT
SCHEMBL27328 0.60 IDO1 (0.58) IDO1CMA1SMN1; SMN2AGXTLTA4H
SCHEMBL31314888 0.59 CA1 (0.50)

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-0889360-B1 Reactive resin mixtures and their use SIEMENS AG (DE) 2002-01-30 EP disclosed
EP-0889360-A1 Reactive resin mixtures and their use SIEMENS AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed