SCHEMBL9804305

SCHEMBL9804305

CCOc1ccc(C(C/C=C(/C)c2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
CETP P11597 1/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
FABP1 P07148 2/20 0.42
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
FFAR1 O14842 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CFTR P13569 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9804310 1.00 LTA4H (0.45) LTA4HCETPTLR4TLR2FABP1
SCHEMBL9804464 0.87 LTA4H (0.42) LTA4HCETPFABP1ACACBACACA
SCHEMBL9804455 0.87 LTA4H (0.42) LTA4HCETPFABP1ACACBACACA
SCHEMBL9804442 0.78 LTA4H (0.47) LTA4HCETPTLR4TLR2ACACB
SCHEMBL9804446 0.78 LTA4H (0.47) LTA4HCETPTLR4TLR2ACACB
SCHEMBL7931627 0.75 CETP (0.49) LTA4HCETPFFAR1
SCHEMBL9804659 0.73 LTA4H (0.49) LTA4HCETPACACBACACAL3MBTL1
SCHEMBL9561406 0.73 FFAR1 (0.51) LTA4HCETPACACBACACAFFAR1
SCHEMBL409247 0.73 FFAR1 (0.51) LTA4HCETPACACBACACAFFAR1
SCHEMBL9561389 0.73 LTA4H (0.48) LTA4HCETPACACBACACAL3MBTL1

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-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed