SCHEMBL9560512

SCHEMBL9560512

CCOc1ccc(C(O)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 1/20 0.39
CACNA1C Q13936 1/20 0.36
FFAR1 O14842 4/20 0.35
PPARD Q03181 3/20 0.35
KAT6A Q92794 1/20 0.35
PPARG P37231 2/20 0.35
ALOX5 P09917 2/20 0.35
PSEN1 P49768 1/20 0.35
PPARA Q07869 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
NPY2R P49146 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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 0.92 MAPT (0.40) LMNAMAPTATML3MBTL1LTA4H
SCHEMBL9561496 0.91 ALOX5 (0.33) LMNAMAPTATML3MBTL1LTA4H
SCHEMBL9560474 0.91 MAPT (0.39) LMNAMAPTATML3MBTL1LTA4H
SCHEMBL9561491 0.91 ALOX5 (0.33) LMNAMAPTATML3MBTL1LTA4H
SCHEMBL9560878 0.90 LMNA (0.41) LMNAMAPTL3MBTL1FFAR1TP53
SCHEMBL9560338 0.89 ALOX5 (0.33) LTA4HFFAR1PPARGALOX5PSEN1
SCHEMBL9560793 0.89 NR4A1 (0.36)
SCHEMBL9560403 0.89 NR3C2 (0.37) LMNAL3MBTL1ALOX5SMN1; SMN2
SCHEMBL9560585 0.89 MAPK14 (0.39) LTA4HFFAR1PPARGALOX5PSEN1
SCHEMBL9561340 0.88 LTA4H (0.38) LTA4HMRGPRX4KIF11

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