SCHEMBL7871902

SCHEMBL7871902

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SLC15A1 P46059 2/20 0.39
OPRK1 P41145 1/20 0.39
KMO O15229 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7873209 0.86 FNTA (0.46) ALDH1A1MAPK1L3MBTL1SLC6A3SLC6A2
SCHEMBL7873870 0.84 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC6A3SLC6A2
SCHEMBL7871985 0.83 SLC6A3 (0.44) ALDH1A1MAPK1SLC6A3SLC6A2SLC6A4
SCHEMBL8911597 0.79 PRKCZ (0.48) ALDH1A1KMO
SCHEMBL7811343 0.77 TACR1 (0.49) SLC6A4NPSR1
SCHEMBL4471203 0.75 TNF (0.48) ALDH1A1SLC6A3SLC6A2SLC6A4KMO
SCHEMBL6969734 0.74 ALDH1A1 (0.49) ALDH1A1SLC6A3SLC6A2SLC6A4
SCHEMBL7870025 0.74 SLC6A3 (0.39) ALDH1A1MAPK1L3MBTL1SLC6A3SLC6A2
SCHEMBL7635176 0.74 SLC6A2 (0.44) ALDH1A1SLC6A3SLC6A2SLC6A4PPARG
SCHEMBL28412325 0.71 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A3SLC6A2

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