SCHEMBL9560742

SCHEMBL9560742

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 1/20 0.36
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
MLYCD O95822 1/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL9560672 0.88 LTA4H (0.42) LTA4HMAPK1KCNH2MAPTLMNA
SCHEMBL9561348 0.88 CCR6 (0.35) LTA4HKCNH2MAPTF2F10
SCHEMBL9560684 0.86 LTA4H (0.40) LTA4HMAPK1KCNH2MAPTLMNA
SCHEMBL9714640 0.83 LTA4H (0.39) LTA4HMAPK1MAPTLMNAATM
SCHEMBL10865464 0.82 LTA4H (0.40) LTA4HMAPK1KCNH2MAPTLMNA
SCHEMBL9747164 0.80 LTA4H (0.41) LTA4HMAPK1KCNH2MAPTLMNA
SCHEMBL9560412 0.80 LTA4H (0.46) LTA4HMAPK1MAPTLMNAATM
SCHEMBL10360884 0.79 LTA4H (0.41) LTA4HMAPK1KCNH2MAPTLMNA
SCHEMBL9560885 0.77 LTA4H (0.42) LTA4HMAPK1KCNH2MAPTLMNA
SCHEMBL8858271 0.76 LTA4H (0.46) LTA4HMAPK1KCNH2MAPTLMNA

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