SCHEMBL29022873

SCHEMBL29022873

O=C(O)C=COCCCCCCOC=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.44
TSHR P16473 4/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
LMNA P02545 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTH P32929 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
SCHEMBL729878 0.89 HCAR2 (0.59) HCAR2TSHRALDH1A1TDP1
SCHEMBL10670938 0.89 HCAR2 (0.59) HCAR2TSHRALDH1A1TDP1
SCHEMBL14415089 0.89 HCAR2 (0.59) HCAR2TSHRALDH1A1TDP1
SCHEMBL4169697 0.89 HCAR2 (0.38) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28510587 0.87 TSHR (0.44) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL5477920 0.87 HCAR2 (0.58) HCAR2ALDH1A1LMNA
SCHEMBL10670876 0.84 HCAR2 (0.54) HCAR2TSHRALDH1A1LMNA
1,6-Hexanediol SCHEMBL30396849 0.84 TSHR (0.38) HCAR2TSHRALDH1A1CYP3A4LMNA
SCHEMBL27691917 0.84 HCAR2 (0.54) HCAR2TSHRALDH1A1LMNA
SCHEMBL9203010 0.84 HCAR2 (0.57) HCAR2TSHRALDH1A1NPSR1

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-111642129-B Imide-terminated prepolymer, preparation method thereof, curable resin composition, application thereof and dual-curing method 浙江迅实科技有限公司 2023-06-23 CN disclosed