SCHEMBL8883383

SCHEMBL8883383

COCCNC(=O)c1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.52
HPGD P15428 5/20 0.50
TP53 P04637 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8884505 0.88 COXFA4 (0.48) COXFA4HPGDTP53ALDH1A1HIF1A
SCHEMBL8885457 0.86 COXFA4 (0.47) COXFA4HPGDTP53ALDH1A1HIF1A
SCHEMBL8882898 0.85 COXFA4 (0.48) COXFA4TP53HIF1AEPAS1NPC1
SCHEMBL8885308 0.83 MAPT (0.61) COXFA4HIF1AEPAS1KMT2AMEN1
SCHEMBL8882813 0.82 MEN1 (0.52) COXFA4HPGDHIF1AKMT2AMEN1
SCHEMBL8884738 0.81 COXFA4 (0.48) COXFA4HPGDTP53ALDH1A1KMT2A
SCHEMBL8885313 0.81 NPC1 (0.52) COXFA4HPGDALDH1A1KMT2AMEN1
SCHEMBL11398330 0.80 COXFA4 (0.62) COXFA4HPGDTP53ALDH1A1HIF1A
SCHEMBL8884548 0.80 NPC1 (0.58) COXFA4HPGDTP53ALDH1A1KMT2A
SCHEMBL8883913 0.80 HSP90AA1 (0.51) COXFA4HPGDALDH1A1NPC1RAB9A

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