SCHEMBL9561286

SCHEMBL9561286

CCOc1ccc(C(COC(c2cccc(Oc3ccccc3)c2)C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.48
CETP P11597 1/20 0.42
FFAR1 O14842 2/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
PTGS1 P23219 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
MGLL Q99685 1/20 0.35
FABP1 P07148 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL9561289 1.00 LTA4H (0.48) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9561393 0.89 LTA4H (0.48) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9561389 0.89 LTA4H (0.48) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9561453 0.88 LTA4H (0.47) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9561461 0.88 LTA4H (0.47) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9561311 0.85 LTA4H (0.44) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9561306 0.85 LTA4H (0.44) LTA4HCETPFFAR1ACACBACACA
SCHEMBL10713301 0.85 LTA4H (0.44) LTA4HCETPFFAR1ACACBACACA
SCHEMBL9804659 0.81 LTA4H (0.49) LTA4HCETPFFAR1ACACBACACA
SCHEMBL409247 0.80 FFAR1 (0.51) LTA4HCETPFFAR1ACACBACACA

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 3 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
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed