SCHEMBL7621144

SCHEMBL7621144

CCOc1ccc(C(C(F)=C(F)Cc2cccc(Oc3ccccc3)c2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.47
LTA4H P09960 1/20 0.46
CETP P11597 1/20 0.43
CNR2 P34972 1/20 0.42
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
PTGES O14684 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7621139 1.00 FFAR1 (0.47) FFAR1LTA4HCETPCNR2ACACB
SCHEMBL7631661 0.89 ALDH1A1 (0.51) FFAR1LTA4HCETPCNR2ACACB
SCHEMBL7631656 0.89 ALDH1A1 (0.51) FFAR1LTA4HCETPCNR2ACACB
SCHEMBL7626154 0.88 FFAR1 (0.42) FFAR1LTA4HCETPCNR2ALDH1A1
SCHEMBL7624328 0.88 FFAR1 (0.42) FFAR1LTA4HCETPALDH1A1KDM4E
SCHEMBL7624324 0.88 FFAR1 (0.42) FFAR1LTA4HCETPALDH1A1KDM4E
SCHEMBL7622252 0.88 FFAR1 (0.42) FFAR1LTA4HCETPCNR2ALDH1A1
SCHEMBL7935886 0.87 PPARG (0.42) FFAR1CETPACACBACACAALDH1A1
SCHEMBL7935887 0.87 PPARG (0.42) FFAR1CETPACACBACACAALDH1A1
SCHEMBL7621811 0.87 ALDH1A1 (0.47) FFAR1CNR2ALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916640-B1 1,4-diaryl-2,3-difluoro-2-butene insecticidal and acaricidal agents BASF AG (DE) 2002-06-12 EP claimed
US-6288011-B1 AGRICULTURE, EFFICIENCY AMERICAN CYANAMID CO. 2001-09-11 US claimed
EP-0916640-A1 1,4-diaryl-2,3-difluoro-2-butene insecticidal and acaricidal agents American Cyanamid Company (US) 1999-05-19 EP claimed
EP-0916640-B1 1,4-diaryl-2,3-difluoro-2-butene insecticidal and acaricidal agents BASF AG (DE) 2002-06-12 EP disclosed
US-6288011-B1 AGRICULTURE, EFFICIENCY AMERICAN CYANAMID CO. 2001-09-11 US disclosed
EP-0916640-A1 1,4-diaryl-2,3-difluoro-2-butene insecticidal and acaricidal agents American Cyanamid Company (US) 1999-05-19 EP disclosed