SCHEMBL7715865

SCHEMBL7715865

CCOP(=O)(OCC)C(C)CC#N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7716022 0.80 TSHR (0.39) ACHETSHRTP53TDP1POLB
SCHEMBL7710940 0.78 ACHE (0.38) ACHETSHRTP53TDP1POLB
SCHEMBL9140413 0.76 ACHE (0.34) ACHETSHRL3MBTL1
SCHEMBL14495223 0.75 TSHR (0.46) TSHRTP53TDP1POLBGAA
SCHEMBL124930 0.74 TSHR (0.42) ACHETSHRTP53TDP1POLB
SCHEMBL22455362 0.74 TSHR (0.42) ACHETSHRTP53TDP1POLB
SCHEMBL9342999 0.72 TSHR (0.41) ACHETSHRTP53TDP1POLB
SCHEMBL7298542 0.71 TSHR (0.42) TSHRTP53TDP1POLBGAA
SCHEMBL28876472 0.71 TSHR (0.42) TSHRTP53TDP1POLBGAA
SCHEMBL15011501 0.70 TSHR (0.48) TSHRTP53TDP1POLBGAA

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 7 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
US-5523460-A ANTICHOLESTEROL AGENTS FUJIREBIO INC. (JP) 1996-06-04 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
EP-0617000-A2 4-Fluorobiphenyl derivatives FUJIREBIO Inc. (JP) 1994-09-28 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