SCHEMBL7871985

SCHEMBL7871985

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
FFAR1 O14842 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
F10 P00742 4/20 0.39
F2 P00734 3/20 0.39
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PRSS1 P07477 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 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
SCHEMBL7728008 0.89 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4FFAR1SMN1; SMN2
SCHEMBL391563 0.85 F2 (0.44) SMN1; SMN2TSHRF10F2HTT
SCHEMBL7728006 0.84 FFAR1 (0.50) SLC6A3SLC6A2SLC6A4FFAR1SMN1; SMN2
SCHEMBL7873751 0.83 F10 (0.45) SLC6A3SLC6A2SLC6A4FFAR1SMN1; SMN2
SCHEMBL7871902 0.83 ALDH1A1 (0.41) SLC6A3SLC6A2SLC6A4ALDH1A1MAPK1
SCHEMBL27962426 0.81 F2 (0.45) F10F2HTTALDH1A1LMNA
SCHEMBL8771122 0.80 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4FFAR1SMN1; SMN2
SCHEMBL8911597 0.80 PRKCZ (0.48) FFAR1SMN1; SMN2TSHRHTTALDH1A1
SCHEMBL8063701 0.80 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4FFAR1SMN1; SMN2
SCHEMBL4471203 0.79 TNF (0.48) SLC6A3SLC6A2SLC6A4SMN1; SMN2HTT

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