SCHEMBL28032444

SCHEMBL28032444

CC(OCc1ccccc1)C(=O)C(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAOB P27338 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.39
TSHR P16473 1/20 0.39
LTA4H P09960 1/20 0.39
NR4A2 P43354 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL839125 0.84 ALDH1A1 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28032442 0.82 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28513162 0.82 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL1706675 0.78 KMT2A (0.56) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL27757196 0.78 KMT2A (0.56) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL138280 0.78 KMT2A (0.56) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL138281 0.78 KMT2A (0.56) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL7686303 0.76 KMT2A (0.54) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL8687505 0.76 KMT2A (0.54) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL8687912 0.76 KMT2A (0.54) 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