SCHEMBL9560573

SCHEMBL9560573

Fc1ccc(COC=C(c2ccc(Cl)cc2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPAR1 Q92633 7/20 0.36
LPAR5 Q9H1C0 7/20 0.36
NPSR1 Q6W5P4 1/20 0.34
NR4A2 P43354 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PTGER4 P35408 1/20 0.33
TTR P02766 1/20 0.33
SRD5A2 P31213 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9560570 1.00 L3MBTL1 (0.38) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL9560896 0.89 MAPK14 (0.39) LPAR1LPAR5MRGPRX4SRD5A2
SCHEMBL9560901 0.89 MAPK14 (0.39) LPAR1LPAR5MRGPRX4SRD5A2
SCHEMBL9560802 0.89 RAB9A (0.38) L3MBTL1LPAR1LPAR5NR4A2
SCHEMBL9561171 0.89 LPAR1 (0.36) GAALPAR1LPAR5
SCHEMBL9560799 0.89 RAB9A (0.38) L3MBTL1LPAR1LPAR5NR4A2
SCHEMBL9561164 0.89 LPAR1 (0.36) GAALPAR1LPAR5
SCHEMBL9862629 0.88 MAPT (0.39) L3MBTL1ALDH1A1ATMLMNASMN1; SMN2
SCHEMBL9862627 0.88 MAPT (0.39) L3MBTL1ALDH1A1ATMLMNASMN1; SMN2
SCHEMBL9560842 0.84 MAPK14 (0.41) L3MBTL1ALDH1A1GAAHTTSMN1; SMN2

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