SCHEMBL8885663

SCHEMBL8885663

CCOC(=O)Cn1nnnc1-c1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 6/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
COXFA4 O00483 1/20 0.39
HSP90AA1 P07900 2/20 0.37
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37
TSHR P16473 3/20 0.37
GAA P10253 1/20 0.37
XDH P47989 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
HSD11B1 P28845 1/20 0.36
TP53 P04637 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
SCHEMBL8884976 0.88 HSD11B1 (0.39) MAPK1ALDH1A1HPGDCYP3A4TDP1
SCHEMBL8885532 0.85 MAPK1 (0.44) MAPK1ALDH1A1HPGDHSP90AA1HSP90B1
SCHEMBL8885575 0.79 ALDH1A1 (0.40) ALDH1A1COXFA4HIF1AEPAS1HSD11B1
SCHEMBL8885558 0.77 MAPK1 (0.43) MAPK1ALDH1A1HPGDHSP90AA1HSP90B1
SCHEMBL9397057 0.77 MAPK1 (0.42) MAPK1ALDH1A1HPGDHSP90AA1HSP90B1
SCHEMBL8884017 0.75 HIF1A (0.41) ALDH1A1HIF1AEPAS1HSD11B1KMT2A
SCHEMBL8884015 0.74 HSD11B1 (0.39) ALDH1A1HPGDKDM4EHIF1AEPAS1
SCHEMBL9050508 0.74 HIF1A (0.43) ALDH1A1COXFA4HIF1AEPAS1HSD11B1
SCHEMBL9053708 0.74 HSD11B1 (0.39) MAPK1ALDH1A1TSHRGAAKDM4E
SCHEMBL8947156 0.74 MAPK1 (0.60) MAPK1ALDH1A1HPGDHSP90AA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677324-A MUSCLE RELAXANTS PFIZER INC. (US) 1997-10-14 US disclosed
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed