SCHEMBL28908459

SCHEMBL28908459

O=C(O)CCC(O)C(O)C(O)C(O)CO.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
TET3 O43151 1/20 0.44
CYP1A2 P05177 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 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
SCHEMBL3687001 0.98 PDE4A (0.54) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL16600592 0.93 PDE4A (0.48) PDE4ALMNAL3MBTL1USP2SLCO1B1
Sorbitol SCHEMBL34461855 0.85 LMNA (0.61) PDE4ALMNAL3MBTL1USP2SLCO1B1
Sorbitol SCHEMBL29621591 0.85 LMNA (0.61) PDE4ALMNAL3MBTL1USP2SLCO1B1
Mannitol SCHEMBL19927163 0.85 LMNA (0.61) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL25492943 0.83 TET2 (0.50) PDE4ALMNAUSP2TET2KDM4A
SCHEMBL2416865 0.83 TET2 (0.50) PDE4ALMNAUSP2TET2KDM4A
Mannitol SCHEMBL21081898 0.81 PDE4A (0.56) PDE4ALMNAL3MBTL1USP2SLCO1B1
Mannitol SCHEMBL21066267 0.81 PDE4A (0.56) PDE4ALMNAL3MBTL1USP2SLCO1B1
Mannitol SCHEMBL21066273 0.81 PDE4A (0.56) PDE4ALMNAL3MBTL1USP2SLCO1B1

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
CN-115297851-A Orosol film and method of making and using same TF科技企业 2022-11-04 CN disclosed