SCHEMBL5222914

SCHEMBL5222914

COC(=O)c1cc(OCc2cc(C)on2)c2cc(C)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.42
GCK P35557 9/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.38
METAP2 P50579 1/20 0.38
KCNH2 Q12809 3/20 0.38
PTGER1 P34995 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL5218574 0.88 PTGER1 (0.44) NOX1GCKPOLBKCNH2PTGER1
SCHEMBL5221067 0.86 GCK (0.51) NOX1GCKKCNH2HTTSMN1; SMN2
SCHEMBL5226263 0.84 NOX1 (0.42) NOX1POLBCYP3A4CYP2C9METAP2
SCHEMBL2654604 0.79 GCK (0.51) NOX1GCKKCNH2HTTSMN1; SMN2
SCHEMBL2653455 0.77 AR (0.41) GCKTSHRKCNH2HTTMAPT
SCHEMBL5219286 0.76 MAOB (0.42) NOX1TSHRMEN1KMT2AHTT
SCHEMBL2654537 0.74 KDM4E (0.43) GCKPOLBTSHRKCNH2SMN1; SMN2
SCHEMBL5221627 0.73 NOX1 (0.45) NOX1GCKTSHRKCNH2MEN1
SCHEMBL5218374 0.73 PTGER1 (0.45) NOX1PTGER1ACACBHTTSMN1; SMN2
SCHEMBL2653764 0.70 LMNA (0.53) POLBMEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578745-B1 BENZOFURAN DERIVATivES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2007-11-14 EP disclosed