SCHEMBL9561247

SCHEMBL9561247

Fc1ccc(COCC(F)(c2ccc(Br)cc2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
SLC6A4 P31645 1/20 0.33
TACR1 P25103 1/20 0.32
TTR P02766 2/20 0.32
MAOB P27338 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
LPAR1 Q92633 1/20 0.30
LPAR5 Q9H1C0 1/20 0.30
MAPK14 Q16539 1/20 0.30
NR3C1 P04150 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9560951 0.90 L3MBTL1 (0.35) SMN1; SMN2SLC6A4TACR1TTR
SCHEMBL9560800 0.87 SMN1; SMN2 (0.35) SMN1; SMN2SLC6A4TACR1TTRFFAR4
SCHEMBL10835390 0.86 TACR1 (0.36) SMN1; SMN2SLC6A4TACR1TTRMAOB
SCHEMBL9560514 0.86 MAPT (0.41) SMN1; SMN2SLC6A4TACR1
SCHEMBL10751071 0.82 SMN1; SMN2 (0.33) SMN1; SMN2SLC6A4TACR1TTRMAOB
SCHEMBL10836116 0.79 TACR1 (0.35) SLC6A4TACR1TTRFFAR4LPAR1
SCHEMBL9558410 0.78 TACR1 (0.44) SLC6A4TACR1TTRMAOBLPAR1
SCHEMBL10837117 0.78 NPC1 (0.38) TACR1TTRFFAR4LPAR1LPAR5
SCHEMBL10835835 0.78 TACR1 (0.34) SLC6A4TACR1TTRFFAR4LPAR1
SCHEMBL10835913 0.78 TACR1 (0.34) SLC6A4TACR1TTRFFAR4LPAR1

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