SCHEMBL29207442

SCHEMBL29207442

C=CC(=O)OC(C)CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 11/20 0.42
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP3A4 P08684 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL28245089 0.83 TSHR (0.41) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL27899022 0.81 TSHR (0.44) TSHRALDH1A1LMNAHPGDTP53
SCHEMBL12112394 0.81 TSHR (0.41) TSHRALDH1A1LMNAHPGDTP53
SCHEMBL27308643 0.80 TSHR (0.39) TSHRALDH1A1HPGD
SCHEMBL11694160 0.80 TSHR (0.45) TSHRALDH1A1LMNAHPGDTP53
SCHEMBL27879928 0.79 TSHR (0.45) TSHRALDH1A1LMNAHPGDTP53
SCHEMBL28184424 0.79 TSHR (0.44) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL28276684 0.79 TSHR (0.38) TSHRALDH1A1HPGD
SCHEMBL27962381 0.79 LMNA (0.46) TSHRALDH1A1LMNAHPGD
SCHEMBL27988585 0.79 TSHR (0.38) TSHRHPGD

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-117960047-A Methyl acrylate production process and related equipment 哈密新能煤化工有限责任公司 2024-05-03 CN disclosed