SCHEMBL8569127

SCHEMBL8569127

COC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
ERN1 O75460 2/20 0.60
LMNA P02545 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 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
SCHEMBL14499505 0.86 ERN1 (0.54) MAPTKMT2AMEN1ERN1LMNA
Veratric Acid Methyl Ester SCHEMBL29573244 0.85 MAPT (0.86) MAPTKMT2AMEN1LMNAATM
Veratric Acid Methyl Ester SCHEMBL2050732 0.85 MAPT (0.86) MAPTKMT2AMEN1LMNAATM
SCHEMBL12560338 0.85 ERN1 (0.63) MAPTERN1CYP1A2CYP3A4MAPK1
SCHEMBL25072701 0.85 ALDH1A1 (0.65) MAPTKMT2AMEN1ERN1LMNA
SCHEMBL2040708 0.84 CA12 (0.72) ERN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL16991712 0.83 ERN1 (0.55) MAPTKMT2AMEN1ERN1ATM
SCHEMBL7222505 0.83 MAPT (0.64) MAPTKMT2AMEN1LMNATSHR
SCHEMBL8461881 0.83 PDE4A (0.79)
SCHEMBL19387238 0.82 CA1 (0.70) MAPTKMT2AMEN1ERN1TSHR

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
EP-0846117-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-10 EP disclosed
WO-1996040684-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 WO disclosed