SCHEMBL7718951

SCHEMBL7718951

CCOC(=O)CC(C)P(=O)(O)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 4/20 0.42
ALOX15 P16050 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
TRPA1 O75762 1/20 0.38
PPARD Q03181 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL2982663 0.82 ALDH1A1 (0.46) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL28231817 0.82 ALDH1A1 (0.46) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL7718880 0.82 L3MBTL1 (0.42) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL8353174 0.81 TDP1 (0.39) ALDH1A1TSHRCYP3A4TDP1GAA
SCHEMBL7715959 0.80 ALDH1A1 (0.41) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL2987751 0.77 ALDH1A1 (0.45) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL11321001 0.76 ALDH1A1 (0.51) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL7716772 0.75 ALDH1A1 (0.41) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL7009353 0.75 CYP2D6 (0.39) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL7718873 0.74 ALDH1A1 (0.40) ALDH1A1TSHRALOX15CYP3A4TDP1

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