SCHEMBL9566592

SCHEMBL9566592

CCCC(C)C1(C(=O)OC(C)(C)C)OO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CTSS P25774 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA7 P43166 1/20 0.30

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
SCHEMBL455155 0.81 CTSK (0.33) CTSKCTSS
SCHEMBL57830 0.81 APLNR (0.33) CA1CA2CA7
SCHEMBL16042469 0.77 CTSK (0.32) CTSK
SCHEMBL9562906 0.72 CYP3A4 (0.35) CTSKCTSSCA1CA2
SCHEMBL8527850 0.70
SCHEMBL5880710 0.69
SCHEMBL8836331 0.69
SCHEMBL10291076 0.67 HDAC1 (0.46) CTSKCTSSCA1CA2
SCHEMBL4181248 0.67 LMNA (0.31)
SCHEMBL3681042 0.66 CA1 (0.32) CA1CA2CA12CA14CA7

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-0537931-A1 Fuel compositions ETHYL PETROLEUM ADDITIVES, INC. (US) 1993-04-21 EP disclosed