SCHEMBL1899561

SCHEMBL1899561

CCCC(N)CCC(O)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ANPEP P15144 3/20 0.35
ENPEP Q07075 3/20 0.35
METAP1 P53582 2/20 0.34
S1PR2 O95136 6/20 0.34
S1PR1 P21453 6/20 0.34
S1PR3 Q99500 6/20 0.34
GRIK1 P39086 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK2 Q13002 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL289004 1.00 ALDH1A1 (0.48) ALDH1A1ANPEPENPEPMETAP1S1PR2
SCHEMBL288269 0.86 ALDH1A1 (0.46) ALDH1A1ANPEPENPEPS1PR2S1PR1
SCHEMBL289173 0.78
SCHEMBL1663760 0.76 ALDH1A1 (0.70) ALDH1A1ANPEPENPEPS1PR2S1PR1
SCHEMBL284709 0.76
SCHEMBL17024432 0.73 TSHR (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL18612860 0.73
SCHEMBL636967 0.73
SCHEMBL28803333 0.73 ALDH1A1 (0.46) ALDH1A1METAP1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL6263417 0.73

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-2321277-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT Centre National de la Recherche Scientifique - CNRS (FR) 2011-05-18 EP disclosed
WO-2010023295-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-03-04 WO disclosed