SCHEMBL7756012

SCHEMBL7756012

CCCCC(CCCC)CCCC(C)C(O)=S

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CA1 P00915 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
FDPS P14324 1/20 0.35
CA2 P00918 3/20 0.34
MAPK1 P28482 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
DNM1 Q05193 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL874008 0.91
SCHEMBL9245483 0.84 CA1 (0.52) CA1LMNAFDPSACE2FFAR4
SCHEMBL2458476 0.82 CA1 (0.50) CA1LMNAFDPSACE2FFAR4
SCHEMBL9576128 0.82 CA1 (0.50) CA1LMNAFDPSACE2FFAR4
SCHEMBL5076634 0.82 CA1 (0.50) CA1LMNAFDPSACE2FFAR4
SCHEMBL2353789 0.82 CA1 (0.50) CA1LMNAFDPSACE2FFAR4
SCHEMBL790607 0.82 CA1 (0.50) CA1LMNAFDPSACE2FFAR4
SCHEMBL3063652 0.82 CA1 (0.50) CA1LMNAFDPSACE2FFAR4
SCHEMBL3160270 0.82 CA1 (0.50) CA1LMNAFDPSACE2FFAR4
SCHEMBL28905475 0.82 CA1 (0.50) CA1LMNAFDPSACE2FFAR4

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
EP-0764636-B1 Thiopropionate synergists GOODYEAR TIRE & RUBBER (US) 2001-03-07 EP disclosed