SCHEMBL9502622

SCHEMBL9502622

O=C(O)c1cccc(CSC(C(=O)O)c2ncccc2SCCCCCCCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.40
FAAH O00519 2/20 0.40
PLA2G4B P0C869 2/20 0.40
PLA2G4A P47712 1/20 0.40
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM3B Q7LBC6 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
RAB9A P51151 3/20 0.39
PLA2G2A P14555 1/20 0.38
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
ACMSD Q8TDX5 1/20 0.37
NPC1 O15118 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL9429289 0.74 CYSLTR2 (0.51) LTB4RFAAHARMRGPRX4CYSLTR2
SCHEMBL9504626 0.69 NPC1 (0.43) FAAHPLA2G4BPLA2G4AKDM6BKDM4A
SCHEMBL9501802 0.68 CYSLTR2 (0.46) FAAHCES1CYSLTR2CYSLTR1RXFP1
SCHEMBL9427841 0.67 CYSLTR2 (0.66) LTB4RFAAHARMRGPRX4CYSLTR2
SCHEMBL9427834 0.67 CYSLTR2 (0.66) LTB4RFAAHARMRGPRX4CYSLTR2
SCHEMBL9505492 0.67 NPC1 (0.44) FAAHKDM6BKDM4AKDM4DKDM3B
SCHEMBL9501799 0.66 KDM4E (0.43) PLA2G4BPLA2G4AKDM6BKDM4AKDM4D
SCHEMBL315037 0.66 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2HTTACMSDNPC1
SCHEMBL9501780 0.66 PLA2G7 (0.44) KDM6BKDM4AKDM4DKDM3BHIF1AN
SCHEMBL184313 0.65 FOLH1 (0.54) RAB9ASMN1; SMN2HTTARMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed