SCHEMBL9570798

SCHEMBL9570798

CCOc1ccc(C(COCc2cccc(Oc3ccc(F)cc3)c2)C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.41
PPARD Q03181 9/20 0.41
PPARG P37231 4/20 0.38
FFAR1 O14842 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
CETP P11597 2/20 0.36
EGFR P00533 3/20 0.36
ERBB2 P04626 2/20 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
SCHEMBL9570756 0.93 CETP (0.42) PPARAPPARDFFAR1MRGPRX4CETP
SCHEMBL9570568 0.88 FFAR1 (0.44) FFAR1MRGPRX4CETP
SCHEMBL9560714 0.87 ALDH1A1 (0.38) PPARAPPARDPPARGFFAR1MRGPRX4
SCHEMBL9560358 0.85 CETP (0.43) PPARDFFAR1MRGPRX4CETP
SCHEMBL9570809 0.84 CETP (0.42) PPARAPPARGFFAR1CETP
SCHEMBL9862593 0.83 FFAR1 (0.44) PPARAPPARGFFAR1MRGPRX4CETP
SCHEMBL29370536 0.83 FFAR1 (0.44) PPARAPPARGFFAR1MRGPRX4CETP
SCHEMBL118655 0.83 FFAR1 (0.44) PPARAPPARGFFAR1MRGPRX4CETP
SCHEMBL9570790 0.83 EGFR (0.36) PPARAPPARDFFAR1MRGPRX4EGFR
SCHEMBL9570765 0.83 CETP (0.44) FFAR1CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed