SCHEMBL5307671

SCHEMBL5307671

C=C(CC(C)C)C(=O)OC(C)CC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CA2 P00918 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL6612206 0.83 TSHR (0.33) TSHRMAPT
SCHEMBL7616500 0.82 L3MBTL1 (0.33) TSHRMAPT
SCHEMBL29012831 0.79 TSHR (0.38) TSHRALDH1A1TDP1MMP1MMP2
SCHEMBL1061038 0.78 FAAH (0.36) TSHRCA2MAPT
SCHEMBL2119109 0.78 ALOX15 (0.35) TSHRMAPT
SCHEMBL10456507 0.78 MAPT (0.38) TSHRMAPT
SCHEMBL28658332 0.77 LMNA (0.39) TSHRALDH1A1MAPT
SCHEMBL33467 0.77 TSHR (0.48) TSHRALDH1A1TDP1MAPT
SCHEMBL1093310 0.77 MAPT (0.37) TSHRMAPT
SCHEMBL28217318 0.76 TSHR (0.35) TSHRALDH1A1TDP1MMP1MMP2

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
WO-2007037497-A1 OPTICAL COMPENSATORY FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-04-05 WO disclosed