SCHEMBL8928304

SCHEMBL8928304

O=Cc1cc(Cl)ccc1C(c1ccc(Cl)cc1C=O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.48
TDP1 Q9NUW8 2/20 0.47
PTP4A3 O75365 1/20 0.38
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.34
XDH P47989 1/20 0.34
EPAS1 Q99814 1/20 0.33
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
KIF11 P52732 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL868931 0.85 ERN1 (0.52) ERN1TDP1PTP4A3PTPN1CYP3A4
SCHEMBL16579516 0.74 TDP1 (0.52) ERN1TDP1PTP4A3PTPN1CYP3A4
SCHEMBL502871 0.73 TDP1 (0.55) ERN1TDP1PTP4A3PTPN1HSD17B10
SCHEMBL32682731 0.73 ERN1 (0.47) ERN1TDP1EPAS1ALDH1A1HPGD
SCHEMBL20303480 0.73 ERN1 (0.47) ERN1TDP1EPAS1ALDH1A1HPGD
SCHEMBL867619 0.71 KIF11 (0.50) ERN1TDP1PTP4A3HTTALDH1A1
SCHEMBL42333 0.71 ERN1 (0.59) ERN1TDP1PTPN1HSD17B10XDH
SCHEMBL29958016 0.71 ERN1 (0.59) ERN1TDP1PTPN1HSD17B10XDH
SCHEMBL4357334 0.71 TDP1 (0.70) ERN1TDP1PTPN1HSD17B10XDH
SCHEMBL28229506 0.70 ALDH1A1 (0.53) TDP1CYP3A4TSHRMAPK1HSD17B10

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-5656401-A Electroluminescent device comprising oxadiazole compounds luminescent material, oxadiazole compounds for the device, and method of producing oxadiazole compounds RICOH COMPANY, LTD. (JP) 1997-08-12 US disclosed
US-5610309-A Electroluminescent device comprising oxadiazole compounds luminescent material, oxadiazole compounds for the device, and method of producing oxadiazole compounds RICOH COMPANY, LTD. (JP) 1997-03-11 US disclosed
US-5597925-A CYCLIZATION RICOH COMPANY, LTD. (JP) 1997-01-28 US disclosed
US-5420288-A Electron transporting material, planar displays RICOH COMPANY, LTD. (JP) 1995-05-30 US disclosed