SCHEMBL9682176

SCHEMBL9682176

OCCc1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
LTA4H P09960 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BACE1 P56817 1/20 0.42
HRH1 P35367 1/20 0.40
F2 P00734 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL9804282 0.91 TTR (0.46) TTRLTA4HPOLB
SCHEMBL9539557 0.87 TTR (0.65) TTRCYP4F2CYP4A11LTA4H
Hydrochloric Acid SCHEMBL10469327 0.85 TTR (0.63) TTRCYP4F2CYP4A11LTA4H
SCHEMBL11166948 0.84 LPAR1 (0.42) TTRHRH1FFAR4
SCHEMBL4342229 0.84 TTR (0.42) TTRLTA4HPOLBHRH1F2
SCHEMBL14406381 0.84 TTR (0.45) TTRHRH1
SCHEMBL9681679 0.84 TDP1 (0.42) TTRTDP1POLBHRH1F2
SCHEMBL28480212 0.83 FFAR1 (0.62) TDP1FFAR4
SCHEMBL8567112 0.81 TTR (0.40) TTRPOLBHRH1
SCHEMBL10335055 0.81 TTR (0.40) TTRPOLBHRH1

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-5091416-A INSECTICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed
EP-0361695-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-04 EP disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US disclosed
EP-0082049-A2 Ethers with chiral atoms in the organic rest groups, their preparation, their use in the resolution of alcohols or of certain hemiacetals, and compounds so resolved ROUSSEL-UCLAF (FR) 1983-06-22 EP disclosed