SCHEMBL7716774

SCHEMBL7716774

CCOP(=O)(CCCCC#N)OCC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
PPARD Q03181 1/20 0.47
ACHE P22303 1/20 0.38

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
SCHEMBL11524014 0.98 TSHR (0.46) TSHRPPARDACHE
SCHEMBL6187009 0.94 TSHR (0.50) TSHRPPARDACHE
SCHEMBL491513 0.85 TSHR (0.54) TSHRPPARDACHE
SCHEMBL13854206 0.85 TSHR (0.45) TSHRPPARDACHE
SCHEMBL7268189 0.82 PPARD (0.64) TSHRPPARD
SCHEMBL11514496 0.80 PPARD (0.61) TSHRPPARD
SCHEMBL7268183 0.80 PPARD (0.61) TSHRPPARD
SCHEMBL11323349 0.80 PPARD (0.61) TSHRPPARD
SCHEMBL14713221 0.80 TSHR (0.48) TSHRPPARD
SCHEMBL19245610 0.80 PPARD (0.45) TSHRPPARDACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4151229-A Process for the manufacture of aminoalkyl-phosponic acid esters CIBA-GEIGY CORPORATION (US) 1979-04-24 US disclosed