SCHEMBL8885575

SCHEMBL8885575

COCCn1nnnc1-c1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 6/20 0.38
EPAS1 Q99814 6/20 0.38
CYP1A2 P05177 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 2/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
COXFA4 O00483 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
SCHEMBL9051319 0.85 ALDH1A1 (0.47) ALDH1A1POLBHTTHIF1AEPAS1
SCHEMBL9050508 0.83 HIF1A (0.43) ALDH1A1HTTHIF1AEPAS1HSD11B1
SCHEMBL8884017 0.83 HIF1A (0.41) ALDH1A1POLBHTTHIF1AEPAS1
SCHEMBL8886385 0.81 HIF1A (0.42) ALDH1A1HIF1AEPAS1KMT2AMEN1
SCHEMBL8886146 0.81 HIF1A (0.40) ALDH1A1POLBHTTHIF1AEPAS1
SCHEMBL8885347 0.80 HIF1A (0.39) ALDH1A1POLBHTTHIF1AEPAS1
SCHEMBL8884976 0.80 HSD11B1 (0.39) ALDH1A1POLBHIF1AEPAS1CYP1A2
SCHEMBL8884015 0.79 HSD11B1 (0.39) ALDH1A1POLBHTTHIF1AEPAS1
SCHEMBL8885663 0.79 MAPK1 (0.45) ALDH1A1HIF1AEPAS1KMT2AHSD11B1
SCHEMBL9050197 0.77 HIF1A (0.39) HIF1AEPAS1HSD11B1

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