SCHEMBL7717080

SCHEMBL7717080

CCOP(=O)(CC(CC#N)c1ccccc1)OCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PBRM1 Q86U86 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL10710716 0.86 MAPT (0.59) MAPTMAPK1POLBALDH1A1LMNA
SCHEMBL9227043 0.78 MAPT (0.58) MAPTMAPK1POLBALDH1A1LMNA
Butane SCHEMBL7717079 0.78 SRC (0.41) MAPTPOLBLMNANPSR1PBRM1
SCHEMBL27654581 0.74 MAPT (0.57) MAPTMAPK1POLBALDH1A1LMNA
SCHEMBL28294961 0.73 PBRM1 (0.45) LMNATSHRPBRM1
SCHEMBL6976817 0.73 MAPT (0.56) MAPTMAPK1POLBALDH1A1LMNA
SCHEMBL10771746 0.73 MAPT (0.56) MAPTMAPK1POLBALDH1A1LMNA
SCHEMBL28002410 0.73 MAPK1 (0.64) MAPTMAPK1POLBALDH1A1LMNA
SCHEMBL7007862 0.73 ESR1 (0.47) NPSR1TSHRPBRM1
SCHEMBL10718634 0.71 MAPT (0.54) MAPTMAPK1POLBALDH1A1LMNA

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