SCHEMBL9092178

SCHEMBL9092178

COCc1ncccc1-c1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.46
EPAS1 Q99814 8/20 0.46
EP300 Q09472 2/20 0.39
COXFA4 O00483 1/20 0.38
TLR3 O15455 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL9092301 0.90 HIF1A (0.48) HIF1AEPAS1EP300COXFA4PTGS1
SCHEMBL9092543 0.79 HIF1A (0.44) HIF1AEPAS1EP300COXFA4TLR3
SCHEMBL9092213 0.72 HIF1A (0.44) HIF1AEPAS1EP300PTGS1PTGS2
SCHEMBL9092974 0.70 HIF1A (0.46) HIF1AEPAS1EP300
SCHEMBL9092249 0.69 HIF1A (0.46) HIF1AEPAS1EP300TLR3PTGS1
SCHEMBL9092059 0.69 HIF1A (0.40) HIF1AEPAS1EP300
SCHEMBL8290932 0.68 NPC1 (0.46) PTGS1PTGS2
SCHEMBL791815 0.68 NPC1 (0.40) PTGS2
SCHEMBL9090422 0.68 HIF1A (0.45) HIF1AEPAS1EP300
SCHEMBL8885575 0.65 ALDH1A1 (0.40) HIF1AEPAS1COXFA4

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-5574049-A POTASSIUM CHANNEL OPENERS, BRONCHODILATORS, ANTIASTHMA SANDOZ LTD. (CH) 1996-11-12 US disclosed
EP-0623129-A1 2,2-DIALKYL- AND 2,2-DIALKYL-3,4-DIHYDRO-3-HYDROXY-2H-1-BENZOPYR ANS, THEIR USE AS PHARMACEUTICALS Novartis AG (CH) 1994-11-09 EP disclosed
WO-1994012493-A1 2,2-DIALKYL- AND 2,2-DIALKYL-3,4-DIHYDRO-3-HYDROXY-2H-1-BENZOPYR ANS, THEIR USE AS PHARMACEUTICALS SANDOZ, LTD. (CH) 1994-06-09 WO disclosed