SCHEMBL7728006

SCHEMBL7728006

CCOC(=O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PRKCZ Q05513 2/20 0.45
CYP26A1 O43174 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F10 P00742 2/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL7728008 0.94 SLC6A3 (0.49) FFAR1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL12268167 0.86 FNTA (0.47) FFAR1SLC6A3PRKCZCYP26A1FNTA
SCHEMBL8798403 0.85 PRKCZ (0.48) FFAR1PRKCZCYP26A1FNTAFNTB
SCHEMBL657182 0.85 PRKCZ (0.48) FFAR1PRKCZCYP26A1FNTAFNTB
SCHEMBL1532918 0.85 PRKCZ (0.54) FFAR1PRKCZCYP26A1FNTAFNTB
SCHEMBL7873751 0.85 F10 (0.45) FFAR1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL393911 0.84 GABBR2 (0.58) FFAR1PRKCZFNTAFNTBTSHR
SCHEMBL7871985 0.84 SLC6A3 (0.44) FFAR1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL7873209 0.83 FNTA (0.46) FFAR1SLC6A2SLC6A4SLC6A3PRKCZ
SCHEMBL8771122 0.82 SLC6A3 (0.49) FFAR1SLC6A2SLC6A4SLC6A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410306-B1 PREPARING PREFERENTIAL ENANTIMORPHS; OBTAIN CHEMICAL INTERMEDIATE, INCUBATE WITH ENZYMES, RECOVER PREFERENTIAL ENANTIMORPHS SCHERING CORPORATION 2002-06-25 US disclosed
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
WO-2000050628-A1 ENANTIOSELECTIVE ENZYMATIC HYDROLYSIS OF 3-SUBSTITUTED ESTERS OF GLUTARIC ACID SCHERING CORPORATION (US) 2000-08-31 WO 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