SCHEMBL9092249

SCHEMBL9092249

CCc1cc(-c2ccc3c(c2)C=CC(C)(C)O3)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.46
EPAS1 Q99814 10/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CA7 P43166 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR3 O15455 1/20 0.39
EP300 Q09472 3/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9091985 0.90 HIF1A (0.45) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9090422 0.87 HIF1A (0.45) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9092543 0.86 HIF1A (0.44) HIF1AEPAS1ALDH1A1HPGDKDM4E
Acetic Acid SCHEMBL9092012 0.83 HIF1A (0.42) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9092014 0.82 COXFA4 (0.44) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9092974 0.82 HIF1A (0.46) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL31555358 0.73 CYP1A2 (0.52) POLBCYP3A4SREBF1SREBF2MAP4K4
SCHEMBL5868243 0.73 HIF1A (0.54) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9092213 0.73 HIF1A (0.44) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9092301 0.72 HIF1A (0.48) HIF1AEPAS1ALDH1A1HPGDEP300

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