SCHEMBL11524014

SCHEMBL11524014

CCOP(=O)(CCCCCCCCCCC#N)OCC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
PPARD Q03181 1/20 0.45
ACHE P22303 1/20 0.37

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
SCHEMBL7716774 0.98 TSHR (0.48) TSHRPPARDACHE
SCHEMBL6187009 0.92 TSHR (0.50) TSHRPPARDACHE
SCHEMBL491513 0.84 TSHR (0.54) TSHRPPARDACHE
SCHEMBL11323349 0.83 PPARD (0.61) TSHRPPARD
SCHEMBL7268183 0.83 PPARD (0.61) TSHRPPARD
SCHEMBL11514496 0.83 PPARD (0.61) TSHRPPARD
SCHEMBL13854206 0.83 TSHR (0.45) TSHRPPARDACHE
SCHEMBL7268189 0.81 PPARD (0.64) TSHRPPARD
SCHEMBL2351297 0.81 TSHR (0.46) TSHRPPARD
SCHEMBL14713221 0.78 TSHR (0.48) TSHRPPARD

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-4151229-A Process for the manufacture of aminoalkyl-phosponic acid esters CIBA-GEIGY CORPORATION (US) 1979-04-24 US disclosed