SCHEMBL4754667

SCHEMBL4754667

NC(=CCCc1nccs1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
COPS5 Q92905 2/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32
PLA2G4A P47712 1/20 0.32
PSMD14 O00487 2/20 0.32
CES1 P23141 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.31
STAMBP O95630 1/20 0.31
TBXAS1 P24557 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL175216 0.73 FDPS (0.43) FDPSCOPS5CYP2C19SLC6A3ALDH1A1
Oxalic Acid SCHEMBL27272135 0.72 FDPS (0.40) FDPSCOPS5CYP2C19SLC6A3ALDH1A1
SCHEMBL1628173 0.72
Hydrochloric Acid SCHEMBL31146299 0.71 FDPS (0.42) FDPSCOPS5CYP2C19SLC6A3ALDH1A1
Bromide SCHEMBL4938367 0.71 FDPS (0.41) FDPSCOPS5CYP2C19SLC6A3ALDH1A1
SCHEMBL992041 0.71 FDPS (0.44) FDPSCOPS5SLC6A3ALDH1A1TSHR
SCHEMBL10716865 0.70 FDPS (0.41) FDPSCOPS5SLC6A3ALDH1A1TSHR
SCHEMBL2657137 0.70 PLA2G4A (0.44) FDPSCOPS5CYP2C19ALDH1A1TSHR
Carbamic Acid SCHEMBL2360596 0.70 FDPS (0.41) FDPSCYP2C19SLC6A3ALDH1A1TSHR
Carbamic Acid SCHEMBL9205535 0.69 FDPS (0.43) FDPSCOPS5SLC6A3ALDH1A1TSHR

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
WO-2008155615-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF CEPHALOSPORIN ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-12-24 WO disclosed