SCHEMBL9700790

SCHEMBL9700790

CCCCCC(C)(C)CC(=CN=C=O)N=C=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCR2 P41597 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
SCHEMBL11417127 0.76 CES2 (0.38) FFAR1TDP1
SCHEMBL11789847 0.76 CES2 (0.38) FFAR1TDP1
SCHEMBL5080735 0.76 CES2 (0.38) FFAR1TDP1
SCHEMBL11789842 0.76 CES2 (0.38) FFAR1TDP1
SCHEMBL5349797 0.76 CES2 (0.38) FFAR1TDP1
SCHEMBL9791252 0.76 CES2 (0.38) FFAR1TDP1
SCHEMBL28625495 0.75 CES1 (0.33)
SCHEMBL19666943 0.65 FFAR1 (0.41) FFAR1CPT2TDP1
SCHEMBL4760766 0.64 NAAA (0.34)
SCHEMBL6151090 0.64

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
US-5085669-A Against oxidation in air HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed