SCHEMBL8994737

SCHEMBL8994737

COc1ccc(Cc2c(C)oc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 2/20 0.61
CYP2C19 P33261 1/20 0.52
MAOB P27338 3/20 0.50
LTA4H P09960 1/20 0.50
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX5 P09917 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CA2 P00918 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TNKS O95271 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL984055 0.78 LTA4H (0.67) VKORC1MAOBLTA4HMEN1KMT2A
SCHEMBL8934551 0.77 VKORC1 (0.66) VKORC1MAOBCA2KDM4EALDH1A1
SCHEMBL11734282 0.75 VKORC1 (0.54) VKORC1CYP2C19CYP2C9MEN1KMT2A
SCHEMBL15046894 0.74 KDM4E (0.50) CYP2C19THRBTHRACYP2C9MEN1
SCHEMBL28316267 0.72 CYP11B1 (0.64) VKORC1MAOBTHRBRAB9ANPC1
SCHEMBL8183283 0.71 CA2 (0.54) CYP2C19THRBTHRACYP2C9CA2
SCHEMBL11729224 0.71 MAOB (0.79) VKORC1MAOBLTA4HCA2MAPT
SCHEMBL1253476 0.70 CA2 (0.62) CYP2C19THRBTHRACYP2C9MEN1
SCHEMBL8283495 0.70 CA2 (0.47) CYP2C19THRBTHRAMEN1KMT2A
SCHEMBL3084454 0.70 MAOB (0.50) VKORC1MAOBLTA4HALOX5MEN1

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 5 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