SCHEMBL7717039

SCHEMBL7717039

CCOC(=O)C(C)C(C)CP(=O)(O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
FPR2 P25090 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
TP53 P04637 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
SCHEMBL7718873 0.79 ALDH1A1 (0.40) PPARDCYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL7716772 0.74 ALDH1A1 (0.41) PPARDCYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL11732316 0.72 PPARD (0.50) PPARDPOLBTSHRTDP1TP53
SCHEMBL12104069 0.72 ALDH1A1 (0.44) CYP2C19POLBALDH1A1ALOX15CYP3A4
SCHEMBL13513026 0.72 ALDH1A1 (0.40) CYP2C19POLBALDH1A1TSHRALOX15
SCHEMBL17677251 0.72 ALDH1A1 (0.43) POLBALDH1A1TSHRALOX15TDP1
SCHEMBL12058704 0.72 ALDH1A1 (0.43) POLBALDH1A1TSHRALOX15TDP1
SCHEMBL7715874 0.71 L3MBTL1 (0.41) PPARDPOLBALDH1A1ALOX15KMT2A
SCHEMBL19318891 0.71 ALDH1A1 (0.53) CYP2C19POLBALDH1A1ALOX15CYP3A4
SCHEMBL12640198 0.71 ALDH1A1 (0.53) CYP2C19POLBALDH1A1ALOX15CYP3A4

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