SCHEMBL28658451

SCHEMBL28658451

CCC(CC)COCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
USP2 O75604 2/20 0.32
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 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
SCHEMBL11475174 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL31602144 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL629228 0.95 ALDH1A1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2367465 0.87 CYP3A4 (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL16450495 0.85 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL16517850 0.85 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3997312 0.84 CYP3A4 (0.61) MEN1KMT2ATSHRTHRBHTT
SCHEMBL3997202 0.84 CYP3A4 (0.61) MEN1KMT2ATSHRTHRBHTT
SCHEMBL4005241 0.84 CYP3A4 (0.61) MEN1KMT2ATSHRTHRBHTT
SCHEMBL28658452 0.84 MEN1 (0.41) MEN1KMT2ATSHRMAPK1THRB

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-113661064-A Active energy ray-curable resin composition, cured product, laminate, and article DIC株式会社 2021-11-16 CN disclosed