SCHEMBL28099467

SCHEMBL28099467

CC(C)COP(=O)(O)OCCO

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 2/20 0.43
PPARD Q03181 1/20 0.33
P2RY10 O00398 5/20 0.33
GPR34 Q9UPC5 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
BTN3A1 O00481 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
LAP3 P28838 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FABP3 P05413 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ANPEP P15144 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
SCHEMBL269622 0.87 CYP3A4 (0.38) CYP3A4GAALAP3MEN1KMT2A
SCHEMBL11758345 0.84 CYP3A4 (0.37) CYP3A4GAALAP3MEN1KMT2A
SCHEMBL1396965 0.84 CYP3A4 (0.37) CYP3A4GAALAP3MEN1KMT2A
SCHEMBL11521477 0.83 PLA2G2C (0.40) PLA2G2CP2RY10GPR34LPAR5FABP3
SCHEMBL25772792 0.83 ALDH1A1 (0.35) PLA2G2CP2RY10GPR34CYP3A4GAA
SCHEMBL532831 0.82 PPARD (0.39) PLA2G2CPPARDBTN3A1MEN1KMT2A
SCHEMBL5959374 0.82 PLA2G2C (0.47) PLA2G2CP2RY10GPR34CYP3A4LAP3
SCHEMBL6870372 0.80 CYP3A4 (0.48) PLA2G2CP2RY10GPR34CYP3A4
SCHEMBL17930259 0.79 PPARD (0.37) PLA2G2CPPARDBTN3A1MEN1KMT2A
Hydrochloric Acid SCHEMBL31256693 0.79 PPARD (0.37) PLA2G2CPPARDBTN3A1MEN1KMT2A

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-103842097-B Method for preparing a surface 阿克马法国公司 2016-08-31 CN disclosed