SCHEMBL7873209

SCHEMBL7873209

O=C(O)CC(CC(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PRKCZ Q05513 2/20 0.42
CASP1 P29466 3/20 0.42
FFAR1 O14842 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SLC15A1 P46059 1/20 0.41
OPRK1 P41145 1/20 0.40

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
SCHEMBL7873870 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A4
SCHEMBL7871902 0.86 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A4
SCHEMBL27321134 0.83 ALDH1A1 (0.54) FNTAFNTBALDH1A1MAPK1L3MBTL1
SCHEMBL7728006 0.83 FFAR1 (0.50) FNTAFNTBSLC6A2SLC6A4SLC6A3
SCHEMBL657182 0.82 PRKCZ (0.48) FNTAFNTBALDH1A1PRKCZFFAR1
SCHEMBL8798403 0.82 PRKCZ (0.48) FNTAFNTBALDH1A1PRKCZFFAR1
SCHEMBL1532918 0.82 PRKCZ (0.54) FNTAFNTBALDH1A1PRKCZFFAR1
SCHEMBL7635176 0.82 SLC6A2 (0.44) ALDH1A1SLC6A2SLC6A4SLC6A3CASP1
SCHEMBL12268167 0.80 FNTA (0.47) FNTAFNTBALDH1A1SLC6A3PRKCZ
SCHEMBL7811403 0.77 TACR1 (0.46) FNTAFNTB

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-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed