SCHEMBL21136952

SCHEMBL21136952

CCC(C)(C(=O)OC1(C)c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC25A5 P05141 1/20 0.35
PDK2 Q15119 14/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
APEX1 P27695 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ITGA4 P13612 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
SCHEMBL13126124 0.84 ALDH1A1 (0.38) PDK2APEX1THRBTDP1ALDH1A1
SCHEMBL19335310 0.80 THRB (0.40) PDK2APEX1THRBTDP1ALDH1A1
SCHEMBL13163483 0.74 PDK2 (0.33) PDK2APEX1THRBTDP1ALDH1A1
SCHEMBL18826362 0.73 ALDH1A1 (0.38) CYP1A2THRBTDP1ALDH1A1MAPT
SCHEMBL6154693 0.72 MAPT (0.46) PDK2CYP1A2CYP2D6CYP2C19APEX1
SCHEMBL19771500 0.71 PDK2 (0.43) PDK2
SCHEMBL3633870 0.71 THRB (0.48) PDK2APEX1THRBTDP1ALDH1A1
SCHEMBL19335379 0.70 DHFR (0.35) PDK2THRBTDP1ALDH1A1MAPT
SCHEMBL19335304 0.70 PDK2 (0.39) PDK2
SCHEMBL19335186 0.69 PDK2 (0.40) PDK2

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
US-20190187342-A1 ANTIREFLECTIVE FILM, METHOD OF PRODUCING ANTIREFLECTIVE FILM, AND EYEGLASS TYPE DISPLAY SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-06-20 US disclosed