SCHEMBL14601136

SCHEMBL14601136

COC(=N)CCCCCCC(C)=N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL44286 0.89 SPHK2 (0.36) SPHK2SPHK1
SCHEMBL43895 0.89 SPHK2 (0.36) SPHK2SPHK1
Hydrochloric Acid SCHEMBL988664 0.87 SPHK2 (0.35) SPHK2SPHK1
Hydrochloric Acid SCHEMBL351073 0.87 SPHK2 (0.35) SPHK2SPHK1
Hydrochloric Acid SCHEMBL3613960 0.87 SPHK2 (0.35) SPHK2SPHK1
Hydrochloric Acid SCHEMBL164104 0.87 SPHK2 (0.35) SPHK2SPHK1
SCHEMBL44180 0.87 TSHR (0.36) SPHK2SPHK1
Hydrochloric Acid SCHEMBL29067643 0.84 SPHK2 (0.33) SPHK2SPHK1
Hydrochloric Acid SCHEMBL432534 0.84 TSHR (0.35) SPHK2SPHK1
Hydrochloric Acid SCHEMBL120845 0.84 TSHR (0.35) SPHK2SPHK1

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-7166302-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 US disclosed