SCHEMBL29928113

SCHEMBL29928113

O=C1c2ccccc2C(=O)N1C1COCOC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CHRM2 P08172 1/20 0.41
OPRM1 P35372 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL21252166 0.81 TSHR (0.42) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL20331989 0.81 TSHR (0.42) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL31513601 0.79 CYP1A2 (0.45) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL24358382 0.78 L3MBTL1 (0.42) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL25648931 0.78 L3MBTL1 (0.40) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL22234497 0.78 L3MBTL1 (0.40) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL9625796 0.77 L3MBTL1 (0.54) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL2665681 0.77 L3MBTL1 (0.54) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL21386681 0.77 L3MBTL1 (0.48) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL21878322 0.77 ALDH1A1 (0.41) TSHRALDH1A1CYP1A2CHRM2OPRM1

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-115190813-B Modulators of integrated stress response pathways 埃沃特克国际有限责任公司 2024-10-15 CN disclosed
CN-115190813-A Modulators of integrated stress response pathways 埃沃特克国际有限责任公司 2022-10-14 CN disclosed