SCHEMBL6059611

SCHEMBL6059611

COc1ccc(-c2ccc(Cc3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.71
MAOB P27338 2/20 0.63
CYP17A1 P05093 1/20 0.58
IDO1 P14902 3/20 0.56
ESR2 Q92731 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55
AGXT P21549 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2D6 P10635 1/20 0.50
ATM Q13315 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL22451382 1.00 LTA4H (0.71) LTA4HMAOBCYP17A1IDO1ESR2
SCHEMBL27884 0.92 LTA4H (0.81) LTA4HIDO1CA12CA1CA2
SCHEMBL1425001 0.92 LTA4H (0.81) LTA4HIDO1CA12CA1CA2
SCHEMBL19087101 0.91 ACHE (0.62) LTA4HMAOBCYP17A1SAE1UBA2
SCHEMBL14030856 0.91 ACHE (0.62) LTA4HMAOBCYP17A1SAE1UBA2
SCHEMBL11819224 0.91 LTA4H (0.80) LTA4HMAOBCYP17A1ALDH1A1SMN1; SMN2
SCHEMBL5551078 0.91 LTA4H (0.88) LTA4HMAOBCYP17A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL20919857 0.90 LTA4H (0.77) LTA4HIDO1CA12CA1CA2
SCHEMBL14547341 0.88 CYP17A1 (0.71) LTA4HMAOBCYP17A1CYP2D6CYP3A4
SCHEMBL13893213 0.88 LTA4H (0.57) LTA4HMAOBCYP17A1IDO1ESR2

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-7125951-B2 Monomers containing at least one biaryl unit and polymers and derivatives prepared therefrom SOUTH DAKOTA SCHOOL OF MINES AND TECHNOLOGY (US) 2006-10-24 US disclosed
US-20040254327-A1 Monomers containing at least one biaryl unit and polymers and derivatives prepared therefrom SOUTH DAKOTA SCHOOL OF MINES AND TECHNOLOGY 2004-12-16 US disclosed
WO-2004037879-A2 MONOMERS CONTAINING AT LEAST ONE BIARYL UNIT AND POLYMERS AND DERIVATIVES PREPARED THEREFROM SOUTH DAKOTA SCHOOL OF MINES AND TECHNOLOGY (US) 2004-05-06 WO disclosed