SCHEMBL29067271

SCHEMBL29067271

C=CC(=O)OCCCCOC=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
AKR1B10 O60218 4/20 0.46
AKR1B1 P15121 4/20 0.46
HPGD P15428 1/20 0.44
PPARA Q07869 1/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
APP P05067 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL11666225 0.91 THRB (0.58) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL8217316 0.85 AKR1B10 (0.63) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL8217319 0.85 AKR1B10 (0.63) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL67824 0.82 TSHR (0.51) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL19846622 0.82 TSHR (0.51) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL11339149 0.82 AKR1B10 (0.63) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL11339150 0.82 AKR1B10 (0.63) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL205902 0.81 THRB (0.53) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL843436 0.78 AKR1B10 (0.71) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL843435 0.78 AKR1B10 (0.71) TSHRALDH1A1CYP3A4THRBAKR1B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116507680-B Free radically polymerizable crosslinking agent, curable composition, and adhesive therefrom 3M创新有限公司 2024-05-14 CN disclosed
CN-116507680-A Free radically polymerizable crosslinking agent, curable composition, and adhesive therefrom 3M创新有限公司 2023-07-28 CN disclosed