SCHEMBL8994709

SCHEMBL8994709

COc1ccc(C(=O)c2c(C)oc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 1.00
CYP2C9 P11712 4/20 0.82
EYA3 Q99504 3/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
TDP1 Q9NUW8 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KDM7A Q6ZMT4 1/20 0.62
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
ATM Q13315 1/20 0.56
TP53 P04637 1/20 0.55
CNR2 P34972 2/20 0.55

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
SCHEMBL9316490 0.85 CYP2C19 (0.73) CYP2C19CYP2C9EYA3L3MBTL1KDM4E
SCHEMBL28245012 0.84 CYP2C19 (0.79) CYP2C19CYP2C9EYA3L3MBTL1TDP1
SCHEMBL28245008 0.84 CYP2C19 (0.79) CYP2C19CYP2C9EYA3L3MBTL1MAPT
SCHEMBL8994710 0.83 CYP2C19 (1.00) CYP2C19CYP2C9EYA3KDM7AHTT
SCHEMBL9444836 0.82 CYP2C19 (0.70) CYP2C19CYP2C9EYA3L3MBTL1MAPT
SCHEMBL28245013 0.82 CYP2C19 (0.75) CYP2C19CYP2C9EYA3L3MBTL1MAPT
SCHEMBL11673920 0.82 L3MBTL1 (0.92) CYP2C19L3MBTL1NPC1ATMCNR2
SCHEMBL1287462 0.82 CYP2C9 (0.83) CYP2C19CYP2C9EYA3L3MBTL1TDP1
SCHEMBL11736681 0.81 L3MBTL1 (0.90) CYP2C19CYP2C9L3MBTL1NPC1ALDH1A1
SCHEMBL11671790 0.81 L3MBTL1 (0.90) CYP2C19CYP2C9L3MBTL1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585404-A ANTIARRHYTHMIA AGENT KARO BIO AB (SE) 1996-12-17 US disclosed
US-5567728-A BENZOYL BENZOFURAN DERIVATIVES USED TO PREVENT OR TREAT CARDIAC ARRHYTHMIA KAROBIO AKTIEBOLAG (SE) 1996-10-22 US disclosed
EP-0584186-B1 RECEPTOR LIGANDS KAROBIO AB (SE) 1996-08-21 EP disclosed
EP-0584186-A1 RECEPTOR LIGANDS. KAROBIO AB (SE) 1994-03-02 EP disclosed
WO-1992020331-A1 RECEPTOR LIGANDS KAROBIO AKTIEBOLAG (SE) 1992-11-26 WO disclosed
US-3983245-A CORONARY VASODILATORS SMITHKLINE CORPORATION (US) 1976-09-28 US disclosed
US-3975537-A SUBSTITUTED BENZOFURANS SMITH KLINE (US) 1976-08-17 US disclosed