SCHEMBL7756007

SCHEMBL7756007

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 5/20 0.41
ALDH1A1 P00352 3/20 0.40
FDPS P14324 1/20 0.39
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
SLC15A1 P46059 1/20 0.35

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
SCHEMBL874007 0.91
SCHEMBL8805427 0.85 CA1 (0.61) CA1FDPSACE2
SCHEMBL14748064 0.85 CA1 (0.61) CA1FDPSACE2
SCHEMBL873924 0.83 CA1 (0.59) CA1CA2FDPSACE2
SCHEMBL4451639 0.83 CA1 (0.59) CA1CA2FDPSACE2
SCHEMBL790606 0.83 CA1 (0.59) CA1CA2FDPSACE2
SCHEMBL8798470 0.83 CA1 (0.59) CA1CA2FDPSACE2
SCHEMBL4423004 0.83 CA1 (0.59) CA1CA2FDPSACE2
SCHEMBL3067126 0.83 CA1 (0.59) CA1CA2FDPSACE2
Methane SCHEMBL268170 0.81 CA1 (0.57) CA1CA2FDPSACE2

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