SCHEMBL5499422

SCHEMBL5499422

O=C(O)CC(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.59
▸ CHRNB2 P17787 1/20 0.55
▸ CHRNA4 P43681 1/20 0.55
▸ PTGS2 P35354 1/20 0.52
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP12 P39900 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ ACP3 P15309 2/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ GABBR2 O75899 1/20 0.50
▸ GABBR1 Q9UBS5 1/20 0.50
▸ CTSA P10619 2/20 0.48

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
3,3-Diphenylpropanoic Acid SCHEMBL5283373 0.89 GABBR2 (0.59) FFAR1LMNAGABBR2GABBR1
3,3-Diphenylpropanoic Acid SCHEMBL66473 0.89 GABBR2 (0.59) FFAR1LMNAGABBR2GABBR1
3,3-Diphenylpropanoic Acid SCHEMBL28079188 0.87 GABBR2 (0.57) FFAR1LMNAGABBR2GABBR1
3,3-Diphenylpropanoic Acid SCHEMBL5740483 0.87 GABBR2 (0.57) FFAR1LMNAGABBR2GABBR1
3,3-Diphenylpropanoic Acid SCHEMBL28079326 0.87 GABBR2 (0.57) FFAR1LMNAGABBR2GABBR1
3,3-Diphenylpropanoic Acid SCHEMBL9100138 0.87 GABBR2 (0.57) FFAR1LMNAGABBR2GABBR1
SCHEMBL29031805 0.84 CYP2C19 (0.57) FFAR1CHRNB2CHRNA4PTGS2ACP3
SCHEMBL659200 0.83 GABBR2 (0.60) FFAR1PTGS2MMP2MMP9MMP12
SCHEMBL3658988 0.83 CNR1 (0.51) FFAR1LMNAGAAGABBR2GABBR1
SCHEMBL6002264 0.82 GABBR2 (0.58) FFAR1LMNATSHRHTTGABBR2

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
EP-1066259-B1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-01-10 — — EP disclosed
US-6440440-B1 BACTERICIDES, FUNGICIDES, NEMATOCIDES, MITICIDES, INSECTICIDES, AND HERBICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-27 — — US disclosed
EP-1066259-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 — — EP disclosed
WO-1999051578-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-14 — — WO disclosed
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