SCHEMBL1287256

SCHEMBL1287256

CC(C)(C)CONCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.35
CTH P32929 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
APEX1 P27695 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27378001 0.73
SCHEMBL29400518 0.73 KDM4E (0.32)
SCHEMBL27780706 0.71
Water SCHEMBL28261539 0.71 EGLN1 (0.43) EGLN1CTHAPEX1CYP2D6TSHR
SCHEMBL1758271 0.71 EGLN1 (0.38) EGLN1CTHHMGCRCHRM1TBXA2R
SCHEMBL28253364 0.71 EGLN1 (0.43) EGLN1CTHAPEX1CYP2D6TSHR
SCHEMBL14874718 0.71 CYP2C19 (0.33) CYP2C19LMNA
SCHEMBL8427297 0.70
Malonic Acid SCHEMBL28848012 0.69 LDHA (0.47) EGLN1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2701192 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012048013-A2 PHOSPHORODIAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INJECTIONS INHIBITEX, INC. (US) 2012-04-12 WO disclosed