SCHEMBL11409795

SCHEMBL11409795

C#Cc1ccc[c]c1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
TSHR P16473 1/20 0.38
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
MAOA P21397 1/20 0.31
PARP10 Q53GL7 1/20 0.31

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
SCHEMBL7513010 0.82 POLB (0.41) LTA4HTSHR
SCHEMBL11416714 0.76 LTA4H (0.35) LTA4HTSHR
SCHEMBL6036733 0.76 LTA4H (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL3223538 0.76
SCHEMBL983525 0.73 TSHR (0.44) LTA4HTSHRNR1H2BAX
SCHEMBL1929863 0.72 LTA4H (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL422932 0.72 MAOA (0.43) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL4932041 0.72 LTA4H (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL7803639 0.72 LTA4H (0.43) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL11140990 0.72 LTA4H (0.42) LTA4HTSHRNR1H2BAXMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4221895-A POLYESTER, POLYSULFONATE, OR POLYSULFINATE THE DOW CHEMICAL COMPANY (US) 1980-09-09 US disclosed