SCHEMBL9560878

SCHEMBL9560878

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
LPAR1 Q92633 3/20 0.39
LPAR5 Q9H1C0 3/20 0.39
NR3C2 P08235 1/20 0.38
CHRM3 P20309 3/20 0.37
TTR P02766 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FFAR1 O14842 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL9560793 0.91 NR4A1 (0.36) LPAR1LPAR5NR3C2CHRM3TTR
SCHEMBL9560585 0.90 MAPK14 (0.39) SMN1; SMN2FFAR1
SCHEMBL9560403 0.90 NR3C2 (0.37) LMNALPAR1LPAR5NR3C2CHRM3
SCHEMBL9560512 0.90 LMNA (0.40) LMNAMAPTTP53L3MBTL1SMN1; SMN2
SCHEMBL9561340 0.90 LTA4H (0.38)
SCHEMBL9560709 0.89 L3MBTL1 (0.36) LMNAALDH1A1CHRM3TTRL3MBTL1
SCHEMBL9560338 0.89 ALOX5 (0.33) LPAR1LPAR5NR3C2RAB9AFFAR1
SCHEMBL9560800 0.88 SMN1; SMN2 (0.35) LPAR1LPAR5NR3C2CHRM3TTR
SCHEMBL7934909 0.86 LPAR1 (0.38) LMNAALDH1A1KDM4ELPAR1LPAR5
SCHEMBL9558435 0.86 TTR (0.40) ALDH1A1KDM4ELPAR1LPAR5CHRM3

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