SCHEMBL9804516

SCHEMBL9804516

Oc1ccc(C(CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 11/20 0.53
CETP P11597 4/20 0.44
LTA4H P09960 1/20 0.43
NR1H2 P55055 1/20 0.43
BAX Q07812 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 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) FDFT1CETP
SCHEMBL9804456 0.89 FDFT1 (0.54) FDFT1CETP
SCHEMBL9492405 0.88 CETP (0.50) FDFT1CETP
SCHEMBL7931643 0.88 FDFT1 (0.47) FDFT1CETP
SCHEMBL7934874 0.88 FDFT1 (0.53) FDFT1CETP
SCHEMBL9804343 0.88 FDFT1 (0.58) FDFT1CETPLTA4H
SCHEMBL9804359 0.88 KDM4E (0.50) FDFT1CETPLTA4H
SCHEMBL9804588 0.87 FDFT1 (0.45) FDFT1CETPFFAR1FFAR4
SCHEMBL9804670 0.86 FDFT1 (0.56) FDFT1CETP
SCHEMBL7931627 0.86 CETP (0.49) FDFT1CETPLTA4HFFAR1

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