SCHEMBL7718809

SCHEMBL7718809

CCOC(=O)CCCP(=O)(O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.53
CYP1A2 P05177 1/20 0.52
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
POLB P06746 1/20 0.41
ENPP2 Q13822 5/20 0.41
LPAR6 P43657 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR4 Q99677 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41

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
SCHEMBL7717030 0.94 PPARD (0.52) PPARDCYP1A2NR1I2PGRADORA3
SCHEMBL7716763 0.90 PPARD (0.55) PPARDCYP1A2NR1I2PGRADORA3
SCHEMBL2235112 0.85 CYP1A2 (0.52) PPARDCYP1A2NR1I2PGRADORA3
SCHEMBL27789899 0.84 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL11021469 0.83 CYP1A2 (0.50) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL12784068 0.80 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL1487740 0.80 PPARD (0.57) PPARDALOX15ALDH1A1TSHRHSD17B10
SCHEMBL11327789 0.80 DGKA (0.61) SMN1; SMN2ENPP2LPAR6LPAR1LPAR4
SCHEMBL4931741 0.79 CYP1A2 (0.50) PPARDCYP1A2NR1I2PGRADORA3
SCHEMBL27499696 0.78 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2

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