SCHEMBL8617347

SCHEMBL8617347

CCOP(=O)(OCC)C(C/C=C/CO)P(=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
HMGCR P04035 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL8620210 0.78 ALDH1A1 (0.36) HMGCRPOLBTSHRCYP3A4CYP2C9
SCHEMBL1849754 0.75 TSHR (0.40) PPARDHMGCRPOLBL3MBTL1TSHR
SCHEMBL9063886 0.74 PPARD (0.44) PPARDHMGCRPOLBL3MBTL1TSHR
SCHEMBL9723381 0.74 TSHR (0.39) PPARDHMGCRPOLBL3MBTL1TSHR
SCHEMBL9063345 0.71 PPARD (0.46) PPARDHMGCRPOLBL3MBTL1TSHR
SCHEMBL27666450 0.69 PPARD (0.43) PPARDHMGCRPOLBTSHRCYP3A4
SCHEMBL9652021 0.69 TSHR (0.48) PPARDHMGCRPOLBL3MBTL1TSHR
SCHEMBL1852629 0.68 PPARD (0.43) PPARDHMGCRPOLBTSHRCYP3A4
SCHEMBL17635917 0.67 PPARD (0.41) PPARDTSHRTP53TDP1LPAR3
SCHEMBL1732325 0.67 PPARD (0.57) PPARDTSHRTP53TDP1LPAR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed