SCHEMBL9804553

SCHEMBL9804553

CCOc1ccc(C(CCCc2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACACB O00763 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LTA4H P09960 1/20 0.33
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.32
CACNA1F O60840 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD2 P14416 1/20 0.32
TACR2 P21452 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
SCHEMBL7922514 0.79 NQO1 (0.50) NQO1KMT2AMEN1LMNATDP1
SCHEMBL7932190 0.77 APP (0.40) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL9560441 0.75 NQO1 (0.36) NQO1KMT2AMEN1LMNATDP1
SCHEMBL7931627 0.73 CETP (0.49) LTA4H
SCHEMBL4332048 0.72 NQO1 (0.50) NQO1KMT2AMEN1LMNATDP1
SCHEMBL4332044 0.72 NQO1 (0.50) NQO1KMT2AMEN1LMNATDP1
SCHEMBL10555386 0.72 NQO1 (0.50) NQO1KMT2AMEN1LMNATDP1
SCHEMBL9561666 0.72 NQO1 (0.50) NQO1KMT2AMEN1LMNATDP1
SCHEMBL9560409 0.72 NQO1 (0.50) NQO1KMT2AMEN1LMNATDP1
SCHEMBL9804313 0.72 SLC5A2 (0.40) KMT2AMEN1LMNAL3MBTL1MAPK1

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