SCHEMBL9560800

SCHEMBL9560800

OC(COCc1ccc(F)c(Oc2ccccc2)c1)(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
CHRM3 P20309 2/20 0.33
TTR P02766 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NR3C2 P08235 1/20 0.32
SLC6A4 P31645 1/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
MAPK14 Q16539 1/20 0.31
TACR1 P25103 1/20 0.31
POLB P06746 1/20 0.31
NR3C1 P04150 1/20 0.31
AR P10275 1/20 0.31
MRGPRX4 Q96LA9 1/20 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
SCHEMBL9560585 0.91 MAPK14 (0.39) SMN1; SMN2MAPK14TACR1MRGPRX4
SCHEMBL9560403 0.91 NR3C2 (0.37) SMN1; SMN2CHRM3TTRNR3C2LPAR1
SCHEMBL9560709 0.90 L3MBTL1 (0.36) SMN1; SMN2CHRM3TTRSLC6A4MRGPRX4
SCHEMBL9560793 0.89 NR4A1 (0.36) CHRM3TTRFFAR4NR3C2LPAR1
SCHEMBL9560878 0.88 LMNA (0.41) SMN1; SMN2CHRM3TTRNR3C2LPAR1
SCHEMBL9561340 0.88 LTA4H (0.38) FFAR4SLC6A4MAPK14TACR1AR
SCHEMBL9560474 0.88 MAPT (0.39) SMN1; SMN2SLC6A4POLB
SCHEMBL9560338 0.88 ALOX5 (0.33) NR3C2LPAR1LPAR5TACR1POLB
SCHEMBL9561247 0.87 SMN1; SMN2 (0.34) SMN1; SMN2TTRFFAR4SLC6A4LPAR1
SCHEMBL9560512 0.87 LMNA (0.40) SMN1; SMN2MRGPRX4

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