SCHEMBL9560474

SCHEMBL9560474

CCOc1ccc(C(O)(COCc2ccc(F)c(Oc3ccc(Br)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1C Q13936 1/20 0.35
SLC6A4 P31645 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
LTA4H P09960 1/20 0.33
FFAR1 O14842 3/20 0.32
PPARD Q03181 2/20 0.32
KAT6A Q92794 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAOB P27338 3/20 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
SCHEMBL9560339 0.91 MAPT (0.40) MAPTLMNAATML3MBTL1CACNA1C
SCHEMBL9560512 0.91 LMNA (0.40) MAPTLMNAATML3MBTL1CACNA1C
SCHEMBL9560800 0.88 SMN1; SMN2 (0.35) SLC6A4POLBSMN1; SMN2
SCHEMBL10837125 0.87 MAPT (0.40) MAPTLMNAATML3MBTL1CACNA1C
SCHEMBL9560391 0.86 MAPT (0.39) MAPTLMNAATML3MBTL1CACNA1C
SCHEMBL9561491 0.82 ALOX5 (0.33) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9561496 0.82 ALOX5 (0.33) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL10835453 0.81 MAPT (0.44) MAPTLMNAATML3MBTL1CACNA1C
SCHEMBL9560878 0.81 LMNA (0.41) MAPTLMNAL3MBTL1FFAR1KDM4E
SCHEMBL9560338 0.80 ALOX5 (0.33) LTA4HFFAR1PPARGGAAPOLB

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