SCHEMBL7874069

SCHEMBL7874069

CCOC(=O)C(c1cccc(C)c1C)c1cccc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ NLRP3 Q96P20 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL25269621 0.83 GAA (0.43) GAANLRP3ALDH1A1MAPTCYP3A4
SCHEMBL28599329 0.78 NLRP3 (0.48) GAANLRP3ALDH1A1MAPTCYP3A4
SCHEMBL4955315 0.75 MAPK1 (0.43) GAANLRP3ALDH1A1MAPTCYP3A4
SCHEMBL5705552 0.75 TDP1 (0.40) GAANLRP3ALDH1A1MAPTCYP3A4
SCHEMBL363983 0.74 TSHR (0.48) GAANLRP3ALDH1A1MAPK1TDP1
SCHEMBL7509738 0.74 MMP8 (0.51) GAANLRP3ALDH1A1MAPK1TDP1
SCHEMBL8377426 0.73 ADRA2A (0.39) GAANLRP3MAPTCYP3A4CYP2D6
SCHEMBL1190661 0.73 CASP1 (0.49) GAANLRP3TDP1PIN1MEN1
SCHEMBL10896519 0.72 CA12 (0.43) GAANLRP3ALDH1A1MAPTCYP3A4
SCHEMBL6181763 0.72 MEN1 (0.46) GAANLRP3ALDH1A1MAPTCYP3A4

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-6314907-B1 Device use indicator OPTIVA 2001-11-13 — — US disclosed
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