SCHEMBL28635541

SCHEMBL28635541

CC1(C)OB(c2ccccc2)OC1(C)C.COC(O)CCCO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.45
LPL P06858 12/20 0.45
P4HB P07237 1/20 0.38
F11 P03951 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ESR2 Q92731 1/20 0.34
DGAT1 O75907 1/20 0.34
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33

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
SCHEMBL19046610 0.73 LIPG (0.76) LIPGLPLP4HBF11CA1
SCHEMBL90476 0.73 LIPG (0.76) LIPGLPLP4HBF11CA1
Ammonia Solution, Strong SCHEMBL4385797 0.72 LIPG (0.73) LIPGLPLP4HBF11CA1
SCHEMBL17783266 0.70 LIPG (0.66) LIPGLPLP4HBF11CA1
SCHEMBL4898933 0.70
SCHEMBL20472055 0.69 LIPG (0.50) LIPGLPLP4HBF11ESR2
SCHEMBL28266915 0.68 LIPG (0.53) LIPGLPLP4HBF11CA1
SCHEMBL2020518 0.68 CA1 (0.49) LIPGLPLF11CA1CA2
SCHEMBL28105650 0.68 LIPG (0.45) LIPGLPLP4HBF11ESR2
SCHEMBL1866318 0.67 LIPG (0.71) LIPGLPLF11CA1CA2

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-113330096-A Use of substituted or unsubstituted polycyclic aromatic hydrocarbon compounds for high resolution microscopy 马克斯·普朗克索赔科学公司 2021-08-31 CN disclosed