SCHEMBL9804359

SCHEMBL9804359

COc1ccc(C(CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CETP P11597 2/20 0.47
FDFT1 P37268 12/20 0.47
LTA4H P09960 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL7930475 0.91 FDFT1 (0.52) CETPFDFT1
SCHEMBL9804588 0.90 FDFT1 (0.45) KDM4EALDH1A1HTTSMN1; SMN2CETP
SCHEMBL9804456 0.89 FDFT1 (0.54) CETPFDFT1
SCHEMBL9804670 0.88 FDFT1 (0.56) CETPFDFT1
SCHEMBL7931627 0.88 CETP (0.49) CETPFDFT1LTA4H
SCHEMBL7931643 0.88 FDFT1 (0.47) CETPFDFT1
SCHEMBL7934874 0.88 FDFT1 (0.53) ALDH1A1CETPFDFT1
SCHEMBL9804343 0.88 FDFT1 (0.58) CETPFDFT1LTA4H
SCHEMBL9804516 0.88 FDFT1 (0.53) CETPFDFT1LTA4H
SCHEMBL9492405 0.88 CETP (0.50) CETPFDFT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
CN-87102455-A Diphenyl ether derivatives pesticide compound 1988-01-27 CN disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed