SCHEMBL27348229

SCHEMBL27348229

CC(C)[CH]CC(O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TET2 Q6N021 6/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
TET3 O43151 2/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
TET1 Q8NFU7 1/20 0.34

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
SCHEMBL9116509 0.74
SCHEMBL6129577 0.70
SCHEMBL6129552 0.70
SCHEMBL2720035 0.70
SCHEMBL9565293 0.70
SCHEMBL16579852 0.70 GRIK1 (0.48) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL9565291 0.70
SCHEMBL246812 0.69
SCHEMBL4079703 0.69
SCHEMBL5674658 0.69

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
CN-1055681-C Novel 1,3-dialkylurea derivativa having hydroxyl group SANTAN PHARMACEUTICAL CO LTD (JP) 2000-08-23 CN claimed
CN-1055681-C Novel 1,3-dialkylurea derivativa having hydroxyl group SANTAN PHARMACEUTICAL CO LTD (JP) 2000-08-23 CN disclosed