SCHEMBL27700164

SCHEMBL27700164

CC(C)CC(=O)Oc1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ HIF1A Q16665 12/20 0.43
▸ EPAS1 Q99814 11/20 0.43
▸ COXFA4 O00483 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ EP300 Q09472 2/20 0.39

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
SCHEMBL27665976 0.86 ALDH1A1 (0.47) ALDH1A1HIF1AEPAS1COXFA4CYP3A4
SCHEMBL4492932 0.83 ALDH1A1 (0.51) ALDH1A1HIF1AEPAS1COXFA4CYP3A4
SCHEMBL2009830 0.73 HIF1A (0.52) ALDH1A1HIF1AEPAS1COXFA4HPGD
SCHEMBL14139406 0.72 KMT2A (0.59) ALDH1A1HIF1AEPAS1COXFA4
SCHEMBL27502553 0.72 ALDH1A1 (0.43) ALDH1A1HIF1AEPAS1COXFA4CYP3A4
SCHEMBL4017638 0.71 HIF1A (0.42) ALDH1A1HIF1AEPAS1COXFA4CYP3A4
SCHEMBL9356382 0.71 PTGS1 (0.37) ALDH1A1HIF1AEPAS1HPGDPTPN1
SCHEMBL16011689 0.71 HIF1A (0.47) HIF1AEPAS1EP300
SCHEMBL2827569 0.70 HIF1A (0.54) HIF1AEPAS1COXFA4
SCHEMBL4493858 0.69 PTGS2 (0.49) ALDH1A1HIF1AEPAS1COXFA4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160301-B Aminoalkyl-amidomethyl-substituted 2- (4-sulfonylamino) -3-hydroxy-3, 4-dihydro-2H-chromen-6-yl derivatives and their use as potassium channel blockers SOLVAY PHARM BV 2012-03-28 — — CN disclosed
CN-101160301-A Aminoalkyl-amidomethyl-substituted 2- (4-sulfonylamino) -3-hydroxy-3, 4-dihydro-2H-chromen-6-yl derivatives and their use as potassium channel blockers SOLVAY PHARM GMBH (DE) 2008-04-09 — — CN disclosed
Send feedback