SCHEMBL28032442

SCHEMBL28032442

CCC(OCc1ccccc1)C(=O)C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
PPARD Q03181 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.39
PSMB5 P28074 1/20 0.39
MAOB P27338 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL16673133 0.85 ALDH1A1 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28032444 0.82 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL15528161 0.79 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL2384187 0.79 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL1273202 0.79 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL11582630 0.77 PPARG (0.48) KMT2APPARGPPARAALDH1A1TSHR
SCHEMBL9686109 0.76 ALDH1A1 (0.50) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL16672561 0.76 ALDH1A1 (0.55) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL2037092 0.76 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL16672540 0.75 ALDH1A1 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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-104844448-A Synthetic method of Dl - salvianic acid XIAMEN SHENGJIANDA BIOTECH CO LTD 2015-08-19 CN claimed
CN-104844448-A Synthetic method of Dl - salvianic acid XIAMEN SHENGJIANDA BIOTECH CO LTD 2015-08-19 CN disclosed