SCHEMBL9380986

SCHEMBL9380986

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PPARD Q03181 2/20 0.39
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8616279 0.89 POLB (0.39) POLBPPARDALDH1A1TSHRCYP2C9
SCHEMBL6837614 0.87 PPARD (0.38) POLBPPARDTSHRCYP2C9CYP2C19
SCHEMBL1051880 0.87 POLB (0.53) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL10847001 0.85 POLB (0.41) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL25277788 0.84 POLB (0.40) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL3675752 0.84 POLB (0.43) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL1052265 0.82 POLB (0.40) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL8532180 0.82 POLB (0.40) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL9000615 0.82 POLB (0.42) POLB
SCHEMBL11346348 0.82 L3MBTL1 (0.46) POLBALDH1A1TSHRCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344979-B1 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 EP disclosed
US-4963547-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1990-10-16 US disclosed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed