SCHEMBL28809595

SCHEMBL28809595

O=C(C1CCCCC1)C1(O)C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL31469982 0.75 CYP2C19 (0.38)
SCHEMBL8519974 0.75 KMT2A (0.35)
SCHEMBL21065653 0.73 HSD11B1 (0.34) HSD11B1CES2CES1
SCHEMBL466305 0.72
SCHEMBL18599190 0.70
SCHEMBL809925 0.70
SCHEMBL10531455 0.69
SCHEMBL4884855 0.67 HSD11B1 (0.33) HSD11B1
SCHEMBL29234848 0.66
SCHEMBL28209464 0.64 HSD11B1 (0.31) HSD11B1

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-103666015-A Light-curable printing ink taking LED as light source and preparation method of light-curable printing ink TONGLING FOUNDER PLASTICS TECHNOLOGY CO LTD 2014-03-26 CN disclosed