SCHEMBL12359778

SCHEMBL12359778

CCC(O)COCC1CCC(COCC2CO2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.37
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
CYP2D6 P10635 2/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
CNR2 P34972 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL15831674 0.90 TSHR (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL12148928 0.90 TSHR (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28401907 0.90 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL15831678 0.89 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL13399052 0.88 TSHR (0.47) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL19002824 0.86 PRMT5 (0.41) PRMT5WDR77CYP2D6CNR2MEN1
SCHEMBL16078938 0.86 TSHR (0.43) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL18118956 0.85 TSHR (0.41) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL12148925 0.84 TSHR (0.40) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL16075623 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7995895-B2 Resin composition for optical waveguide, and optical waveguide produced by employing the resin composition NITTO DENKO CORPORATION (JP) 2011-08-09 US disclosed
US-7995895-B2 Resin composition for optical waveguide, and optical waveguide produced by employing the resin composition NITTO DENKO CORPORATION (JP) 2011-08-09 US disclosed
US-20100003004-A1 RESIN COMPOSITION FOR OPTICAL WAVEGUIDE, AND OPTICAL WAVEGUIDE PRODUCED BY EMPLOYING THE RESIN COMPOSITION NITTO DENKO CORPORATION (JP) 2010-01-07 US disclosed
US-20100003004-A1 RESIN COMPOSITION FOR OPTICAL WAVEGUIDE, AND OPTICAL WAVEGUIDE PRODUCED BY EMPLOYING THE RESIN COMPOSITION NITTO DENKO CORPORATION (JP) 2010-01-07 US disclosed