SCHEMBL9560403

SCHEMBL9560403

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.37
CHRM3 P20309 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34
RORC P51449 1/20 0.33
ALOX5 P09917 1/20 0.33
TTR P02766 1/20 0.33

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 0.93 MAPK14 (0.39) MEN1KMT2ASMN1; SMN2RXFP1ALOX5
SCHEMBL9560709 0.92 L3MBTL1 (0.36) CHRM3LMNASMN1; SMN2L3MBTL1TTR
SCHEMBL9560793 0.91 NR4A1 (0.36) NR3C2CHRM3KMT2ALPAR1LPAR5
SCHEMBL9560800 0.91 SMN1; SMN2 (0.35) NR3C2CHRM3SMN1; SMN2LPAR1LPAR5
SCHEMBL9561340 0.90 LTA4H (0.38)
SCHEMBL9560878 0.90 LMNA (0.41) NR3C2CHRM3LMNASMN1; SMN2L3MBTL1
SCHEMBL9560338 0.89 ALOX5 (0.33) NR3C2LPAR1LPAR5ALOX5
SCHEMBL9560512 0.89 LMNA (0.40) LMNASMN1; SMN2L3MBTL1ALOX5
SCHEMBL9561496 0.86 ALOX5 (0.33) LMNAL3MBTL1LPAR1LPAR5RORC
SCHEMBL9561491 0.86 ALOX5 (0.33) LMNAL3MBTL1LPAR1LPAR5RORC

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