SCHEMBL7714646

SCHEMBL7714646

CCCC(C#N)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 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
SCHEMBL9840159 0.89 TSHR (0.40) TSHRACHEPOLBTP53TDP1
SCHEMBL5105445 0.83 TSHR (0.46) TSHRACHEPOLBTP53TDP1
SCHEMBL9223204 0.78 TSHR (0.34) TSHRACHEPOLB
SCHEMBL3454666 0.76 TSHR (0.39) TSHRACHEPOLBTP53TDP1
SCHEMBL124930 0.72 TSHR (0.42) TSHRACHEPOLBTP53TDP1
SCHEMBL15537597 0.72 FDPS (0.50) FDPS
SCHEMBL22455362 0.72 TSHR (0.42) TSHRACHEPOLBTP53TDP1
SCHEMBL1241061 0.72 POLB (0.49) POLBGAA
SCHEMBL7717188 0.72 TSHR (0.35) TSHRACHEPOLBTP53TDP1
SCHEMBL23774976 0.71 TSHR (0.41) TSHRACHEPOLBTP53TDP1

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 4 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