SCHEMBL28656723

SCHEMBL28656723

COC(=O)CCC1=CCC(OC)(OC)C=C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NOTUM Q6P988 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EGFR P00533 1/20 0.30
SRC P12931 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
SCHEMBL1055501 0.72 TSHR (0.41) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL25680385 0.71 TSHR (0.40) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL3504031 0.70 TSHR (0.39) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL20730062 0.68 TSHR (0.38) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL13084165 0.68 TSHR (0.36) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL6857054 0.62 TP53 (0.31)
SCHEMBL22922181 0.61 CYP4F2 (0.59) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL21035864 0.61 TSHR (0.35) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL17537987 0.60 ALDH1A1 (0.48) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL346991 0.60 TSHR (0.39) TSHRALDH1A1LMNAMAPTHTT

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-110143878-B Preparation method of methyl p-methoxycinnamate 万华化学集团股份有限公司 2021-10-22 CN disclosed