SCHEMBL10543789

SCHEMBL10543789

CCOCC(C)(C)C(=O)CP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ENO1 P06733 1/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL10682073 0.85 MEN1 (0.32) MEN1LMNAHPGDTSHRBLM
SCHEMBL10684403 0.82 MEN1 (0.36) MEN1LMNAHPGDTSHRBLM
SCHEMBL9257379 0.81
SCHEMBL10682474 0.79 LMNA (0.40) MEN1LMNAHPGDTSHRBLM
SCHEMBL10683719 0.75 FDPS (0.41) MEN1LMNAHPGDTSHRBLM
SCHEMBL3741739 0.72 FDPS (0.44)
SCHEMBL8721557 0.71 LMNA (0.46) MEN1LMNAHPGDTSHRBLM
SCHEMBL10682984 0.71 FDPS (0.47)
Fosfonet SCHEMBL2725001 0.70 TSHR (0.67) MEN1LMNAHPGDTSHRBLM
SCHEMBL10683628 0.69 GGPS1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822804-A 5,6,7,-trinor-4,8-inter-m-phenylene 2-nor PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1989-04-18 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed