SCHEMBL16339028

SCHEMBL16339028

COc1ccc(Cc2ccc(Cc3ccc(OC)cc3)c(Cc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
IDO1 P14902 2/20 0.47
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
AGXT P21549 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MPO P05164 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 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
SCHEMBL16383178 0.93 ACHE (0.52) LTA4HSAE1UBA2
SCHEMBL12923849 0.85 LTA4H (0.55) LTA4HSAE1UBA2IDO1CA2
SCHEMBL28842002 0.85 LTA4H (0.55) LTA4HSAE1UBA2IDO1ATM
SCHEMBL30374775 0.85 CA2 (0.57) LTA4HSAE1UBA2IDO1CA2
SCHEMBL27884 0.82 LTA4H (0.81) LTA4HSAE1UBA2IDO1CA2
SCHEMBL1425001 0.82 LTA4H (0.81) LTA4HSAE1UBA2IDO1CA2
Ammonia Solution, Strong SCHEMBL20919857 0.80 LTA4H (0.77) LTA4HSAE1UBA2IDO1CA2
SCHEMBL2027109 0.79 LTA4H (0.69) LTA4HIDO1CA2CA12CA1
SCHEMBL10970519 0.79 LTA4H (0.76) LTA4HSAE1UBA2IDO1CA2
SCHEMBL28872975 0.79 LTA4H (0.57) LTA4HSAE1UBA2IDO1CA2

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-8927685-B1 Thermoset and thermoplastic compositions derived from the essential oils of herbs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-01-06 US claimed
US-8927685-B1 Thermoset and thermoplastic compositions derived from the essential oils of herbs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-01-06 US disclosed
US-8927685-B1 Thermoset and thermoplastic compositions derived from the essential oils of herbs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-01-06 US disclosed