SCHEMBL28518326

SCHEMBL28518326

CC(C)(C)C(=O)CC(=O)OO

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
KMT2A Q03164 1/20 0.31
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
TET2 Q6N021 1/20 0.30

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
SCHEMBL204758 0.81 GAA (0.50) TSHRKMT2AMGAMGAASI
SCHEMBL6206868 0.77 DGAT1 (0.39) TSHRKMT2AGAAALDH1A1
SCHEMBL93393 0.76 KMT2A (0.39) TSHRKMT2AALDH1A1MAPK1TET2
SCHEMBL4837194 0.76 KMT2A (0.39) TSHRKMT2AALDH1A1MAPK1TET2
SCHEMBL66328 0.75 GAA (0.64) TSHRKMT2AMGAMGAASI
SCHEMBL9566006 0.74 KMT2A (0.37) TSHRKMT2AALDH1A1MAPK1
SCHEMBL15788961 0.74 NPC1 (0.37) TSHRKMT2AALDH1A1MAPK1
SCHEMBL21405194 0.74 KMT2A (0.37) TSHRKMT2AALDH1A1MAPK1
SCHEMBL21002308 0.74 KMT2A (0.37) TSHRKMT2AALDH1A1MAPK1
SCHEMBL9325238 0.74 KMT2A (0.37) TSHRKMT2AALDH1A1MAPK1

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-112080184-A Anti-whitening primer and preparation method thereof 英济股份有限公司 2020-12-15 CN claimed