SCHEMBL9879638

SCHEMBL9879638

CCCCCSCC(=O)NCCCC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.55
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
BLM P54132 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CASP2 P42575 1/20 0.50
FAAH O00519 5/20 0.49
CES1 P23141 4/20 0.49
PLA2G6 O60733 1/20 0.49
EPHX1 P07099 4/20 0.48
NAAA Q02083 1/20 0.47
CNR1 P21554 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL15341568 0.94 CES2 (0.58) CES2GMNNTP53POLBMAPT
SCHEMBL12314650 0.90 CASP2 (0.47) CES2GMNNTP53POLBMAPT
SCHEMBL10766442 0.85 CES2 (0.60) CES2GMNNTP53POLBMAPT
SCHEMBL15948601 0.84 CASP2 (0.48) CASP2FAAHEPHX1NAAACNR1
SCHEMBL16705986 0.82 CASP2 (0.57) CASP2FAAHEPHX1NAAAMEN1
SCHEMBL23056678 0.81 CASP2 (0.44) MAPTCASP2FAAHEPHX1NAAA
SCHEMBL17570450 0.80 CES1 (0.50) CES2GMNNTP53POLBMAPT
SCHEMBL7352291 0.79 CASP2 (0.63) CASP2FAAHNAAACNR1
SCHEMBL5407492 0.79 CES2 (0.53) CES2GMNNTP53POLBMAPT
SCHEMBL23780906 0.78 CES2 (0.62) CES2GMNNTP53POLBMAPT

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
US-5015448-A Particulate material suitable for selectively separating metal cations from aqueous solutions, process for its production, and use thereof GUTEC GESELLSCHAFT ZUR ENTWICKLUNG VON UMWELTSCHUTZTECHNOLOGIE MBH (DE) 1991-05-14 US disclosed