SCHEMBL9560684

SCHEMBL9560684

CCOc1ccc(C(Cl)(COCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.40
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
KIF11 P52732 1/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
DGAT1 O75907 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
SCHEMBL9560672 0.88 LTA4H (0.42) LTA4HMAPK1KCNH2MAPTL3MBTL1
SCHEMBL9560742 0.86 LTA4H (0.40) LTA4HMAPK1KCNH2MAPTL3MBTL1
SCHEMBL10865464 0.82 LTA4H (0.40) LTA4HMAPK1KCNH2MAPTL3MBTL1
SCHEMBL9747164 0.80 LTA4H (0.41) LTA4HMAPK1KCNH2MAPTL3MBTL1
SCHEMBL9560713 0.80 LTA4H (0.46) LTA4HMAPK1MAPTL3MBTL1LMNA
SCHEMBL10360884 0.79 LTA4H (0.41) LTA4HMAPK1KCNH2MAPTLMNA
SCHEMBL9560885 0.77 LTA4H (0.42) LTA4HMAPK1KCNH2MAPTL3MBTL1
SCHEMBL8858271 0.76 LTA4H (0.46) LTA4HMAPK1KCNH2MAPTL3MBTL1
SCHEMBL10361286 0.76 KCNH2 (0.44) MAPK1KCNH2L3MBTL1SMN1; SMN2NPC1
SCHEMBL9561497 0.75 KCNH2 (0.36) KCNH2

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
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed