SCHEMBL6274283

SCHEMBL6274283

C=COCCCCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.33
CDC25A P30304 1/20 0.32
LMNA P02545 3/20 0.31
POLB P06746 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
BLM P54132 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
BRCA1 P38398 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PKM P14618 1/20 0.31
THPO P40225 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
SCHEMBL730023 0.91 APP (0.41) APPLMNABLMPTGS1PDE4A
SCHEMBL9188783 0.89 APP (0.39) APPLMNABLMPTGS1PDE4A
SCHEMBL2532154 0.82
SCHEMBL14030656 0.78 APP (0.41) APPEPHX2LMNABLMPTGS1
SCHEMBL28427241 0.77 FAAH (0.41)
SCHEMBL3048726 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRCDC25A
SCHEMBL9646107 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRCDC25A
SCHEMBL18675767 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRCDC25A
SCHEMBL22408792 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRCDC25A
SCHEMBL9644644 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRCDC25A

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-2005113115-A1 EMISSION CONTROL SYSTEM NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2005-12-01 WO disclosed