SCHEMBL9560804

SCHEMBL9560804

COc1ccc(C(Cl)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LTA4H P09960 1/20 0.35
LMNA P02545 2/20 0.34
FFAR1 O14842 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM3 P20309 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
SCHEMBL9560696 0.91 TACR1 (0.36) TTRLPAR1LPAR5RAB9ACHRM3
SCHEMBL9561293 0.90 LMNA (0.35) TTRLPAR1LPAR5L3MBTL1SMN1; SMN2
SCHEMBL9560787 0.90 L3MBTL1 (0.34) TTRL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL9560321 0.90 MAPT (0.40) TTRL3MBTL1ALDH1A1KDM4ELTA4H
SCHEMBL9560860 0.90 CHRM5 (0.36) TTRLTA4H
SCHEMBL9560383 0.89 TTR (0.34) TTRLPAR1LPAR5RAB9AALDH1A1
SCHEMBL7934909 0.86 LPAR1 (0.38) TTRLPAR1LPAR5L3MBTL1RAB9A
SCHEMBL9558435 0.86 TTR (0.40) TTRLPAR1LPAR5L3MBTL1RAB9A
SCHEMBL9560878 0.85 LMNA (0.41) TTRLPAR1LPAR5L3MBTL1RAB9A
SCHEMBL9637902 0.85 L3MBTL1 (0.33) TTRL3MBTL1LTA4HLMNAFFAR1

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