SCHEMBL9804455

SCHEMBL9804455

CCOc1ccc(C(C/C=C(\C#N)c2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
CETP P11597 1/20 0.41
FABP1 P07148 2/20 0.40
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
AR P10275 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL9804464 1.00 LTA4H (0.42) LTA4HCETPFABP1HPGDMAPT
SCHEMBL9804310 0.87 LTA4H (0.45) LTA4HCETPFABP1MAPTLMNA
SCHEMBL9804305 0.87 LTA4H (0.45) LTA4HCETPFABP1MAPTLMNA
SCHEMBL9804446 0.76 LTA4H (0.47) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9804442 0.76 LTA4H (0.47) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9804514 0.74 LTA4H (0.45) LTA4HCETPFABP1MAPK1L3MBTL1
SCHEMBL10713301 0.73 LTA4H (0.44) LTA4HCETPFABP1MAPK1L3MBTL1
SCHEMBL9561311 0.73 LTA4H (0.44) LTA4HCETPFABP1MAPK1L3MBTL1
SCHEMBL9561306 0.73 LTA4H (0.44) LTA4HCETPFABP1MAPK1L3MBTL1
SCHEMBL9804659 0.71 LTA4H (0.49) LTA4HCETPMAPK1L3MBTL1FFAR1

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 4 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
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed