SCHEMBL5226263

SCHEMBL5226263

COC(=O)c1cc(OCc2cc(C)on2)c2ccoc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.42
KCNA3 P22001 1/20 0.39
METAP2 P50579 1/20 0.39
PTGER1 P34995 1/20 0.38
ACACB O00763 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NOS1 P29475 1/20 0.37
MAPK1 P28482 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PKM P14618 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
SCHEMBL5218374 0.89 PTGER1 (0.45) NOX1KCNA3PTGER1ACACBEPHA2
SCHEMBL5221627 0.87 NOX1 (0.45) NOX1MEN1KMT2AALDH1A1MAPK1
SCHEMBL5222914 0.84 NOX1 (0.42) NOX1METAP2PTGER1ACACBMEN1
SCHEMBL2654597 0.80 GCK (0.44) NOX1ALDH1A1MAPK1HTTTP53
SCHEMBL2666934 0.79 NOX1 (0.44) NOX1MEN1KMT2AALDH1A1MAPK1
SCHEMBL31359519 0.78 HPGD (0.55) KCNA3MEN1KMT2ACYP3A4CYP2C9
SCHEMBL14381218 0.76 NOX1 (0.34) NOX1PTGER1ACACBEPHA2KDR
SCHEMBL18585480 0.76 KDM4E (0.48) KCNA3MEN1KMT2APOLBCYP3A4
SCHEMBL3523312 0.75 MAOB (0.43) NOX1KCNA3MEN1KMT2AALDH1A1
SCHEMBL5221067 0.74 GCK (0.51) NOX1ALDH1A1MAPK1HTT

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