SCHEMBL28292464

SCHEMBL28292464

COC(=O)CC(C)(C)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 4/20 0.39
MMP8 P22894 1/20 0.38
HSD17B10 Q99714 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TET2 Q6N021 1/20 0.34
RECQL P46063 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL182348 0.84 MMP8 (0.35) MMP8
SCHEMBL11746112 0.83 MMP8 (0.34) MMP8
SCHEMBL667630 0.81 TSHR (0.50) CA12CA14CA7CA9TSHR
SCHEMBL15374717 0.81 LMNA (0.38) TSHRMMP8CYP2D6LMNAALDH1A1
SCHEMBL22611954 0.81 CYP2D6 (0.38) CA7MMP8CYP2D6PIK3CDCA2
SCHEMBL10822305 0.81 TSHR (0.37) CA12CA14CA7CA9TSHR
SCHEMBL10883539 0.81 TSHR (0.37) CA12CA14CA7CA9TSHR
Hydrogen Peroxide SCHEMBL25293654 0.79 CYP2D6 (0.37) CA7MMP8GAACYP2D6MEN1
SCHEMBL28695914 0.79 MMP8 (0.47) MMP8HSD17B10MGAMGAASI
SCHEMBL13890774 0.79 CA12 (0.36) CA12CA14CA7CA9TSHR

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-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed