SCHEMBL10898486

SCHEMBL10898486

O=C(O)C(c1cc(Cl)c(Cl)c(Cl)c1)C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.46
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
HTR1E P28566 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR3 Q99500 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.34
CHRM3 P20309 1/20 0.34
CHRM1 P11229 1/20 0.34
PTGS1 P23219 1/20 0.34
ALOX5 P09917 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4627138 0.83 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL1565214 0.80 SLC6A3 (0.69) SLC6A3SLC6A2SLC6A4
SCHEMBL1565823 0.79 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4LMNACNR1
SCHEMBL17847010 0.76 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4LMNAMEN1
SCHEMBL67619 0.74 HTR1E (0.60) SLC6A3SLC6A2LMNAMEN1HTR1E
SCHEMBL1565904 0.74 MEN1 (0.47) SLC6A3SLC6A2SLC6A4LMNAMEN1
SCHEMBL1566296 0.74 EPHX1 (0.43) SLC6A3LMNAMEN1HTR1EKMT2A
SCHEMBL1565129 0.73 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL1565613 0.72 OPRM1 (0.48) SLC6A3LMNAMEN1HTR1EKMT2A
SCHEMBL10895844 0.71 SLC6A3 (0.41) SLC6A3LMNAMEN1HTR1EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098058-B1 SYNTHESIS OF PHENYLACETIC ACID ESTERS ELI LILLY AND COMPANY (US) 1986-02-19 EP disclosed