SCHEMBL9570640

SCHEMBL9570640

CCCOc1ccc(C(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.47
CETP P11597 7/20 0.46
LTA4H P09960 3/20 0.44
FFAR4 Q5NUL3 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL409247 0.91 FFAR1 (0.51) FFAR1CETPLTA4HFFAR4ACACB
SCHEMBL9561406 0.91 FFAR1 (0.51) FFAR1CETPLTA4HFFAR4ACACB
SCHEMBL9570794 0.88 FFAR1 (0.44) FFAR1CETPFFAR4
SCHEMBL7930457 0.87 CETP (0.45) FFAR1CETPFFAR4
SCHEMBL9570901 0.87 CETP (0.49) FFAR1CETPFFAR4
SCHEMBL9560683 0.86 KDM4E (0.50) FFAR1CETPLTA4H
SCHEMBL9560903 0.86 FFAR1 (0.46) FFAR1CETPFFAR4
SCHEMBL9570826 0.85 LTA4H (0.38) FFAR1CETPLTA4HHDAC1HDAC2
SCHEMBL9570765 0.85 CETP (0.44) FFAR1CETPLTA4HFFAR4
SCHEMBL9570819 0.85 FFAR1 (0.44) FFAR1CETPLTA4HACACBACACA

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