SCHEMBL9804469

SCHEMBL9804469

CCOc1ccc(C(CCCc2ncccc2Oc2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33
CETP P11597 1/20 0.32
GRM5 P41594 1/20 0.32
GCK P35557 1/20 0.32
AR P10275 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CCNC P24863 1/20 0.32

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
SCHEMBL407786 0.78 LTA4H (0.41) LTA4HSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7931627 0.77 CETP (0.49) LTA4HCETP
SCHEMBL7922559 0.77 LTA4H (0.42) LTA4HMAPTL3MBTL1KDM4EMAPK1
SCHEMBL9804272 0.77 LTA4H (0.42) LTA4HSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL9804553 0.70 NQO1 (0.39) LTA4HSLC6A3LMNAMAPTATM
SCHEMBL9496411 0.70 LTA4H (0.47) LTA4HCETP
SCHEMBL7931692 0.69 LTA4H (0.47) LTA4HLMNACETP
SCHEMBL9804659 0.69 LTA4H (0.49) LTA4HL3MBTL1MAPK1CETP
SCHEMBL7922514 0.69 NQO1 (0.50) LTA4HLMNAMAPTATML3MBTL1
SCHEMBL9804703 0.69 LTA4H (0.46) LTA4HCETP

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