SCHEMBL27985209

SCHEMBL27985209

CCOC(C)C(O)(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2A Q12879 5/20 0.36
GRIN2D O15399 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN2B Q13224 3/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL27709329 0.85 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP2D6HSD17B10L3MBTL1
SCHEMBL11831934 0.77 TSHR (0.38) ALDH1A1CYP2C19CYP2D6HSD17B10L3MBTL1
SCHEMBL20234166 0.76 GRIN1 (0.37) ALDH1A1CYP2C19CYP2D6HSD17B10L3MBTL1
Fumaric Acid SCHEMBL27783942 0.76 HCAR2 (0.40) ALDH1A1LMNAMAPTCHRM2CHRM1
SCHEMBL28840234 0.74 MAPT (0.42) ALDH1A1CYP2D6LMNAMAPTCHRM2
SCHEMBL28354538 0.74 CYP2C19 (0.48) ALDH1A1CYP2C19CYP2D6HSD17B10MEN1
SCHEMBL27466072 0.74 CYP2C19 (0.48) ALDH1A1CYP2C19CYP2D6HSD17B10LMNA
SCHEMBL28010718 0.73 ALDH1A1 (0.38) ALDH1A1CYP2C19CYP2D6HSD17B10LMNA
SCHEMBL27451412 0.73 ALDH1A1 (0.41) ALDH1A1CYP2C19CYP2D6HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL28840233 0.73 MAPT (0.44) ALDH1A1CYP2C19CYP2D6HSD17B10LMNA

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-104066758-A Photoactive resins, radiation curable compositions and radiation curable inks SUN CHEMICAL CORP 2014-09-24 CN disclosed