SCHEMBL28840896

SCHEMBL28840896

Cc1cc(OCC(C)NC(=O)OC(C)(C)C)cc(C(=O)O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
AAK1 Q2M2I8 2/20 0.39
MCL1 Q07820 2/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
OGG1 O15527 1/20 0.37
HPGD P15428 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL28840894 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1AAK1MCL1
SCHEMBL30103023 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1AAK1MCL1
SCHEMBL31135593 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1AAK1MCL1
SCHEMBL23706743 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1AAK1MCL1
SCHEMBL23706745 0.88 AAK1 (0.38) KDM4EALDH1A1AAK1MTNR1AMTNR1B
SCHEMBL23706642 0.88 AAK1 (0.38) KDM4EALDH1A1AAK1MTNR1AMTNR1B
SCHEMBL25155684 0.84 AAK1 (0.43) KDM4EALDH1A1AAK1MTNR1AMTNR1B
SCHEMBL25155742 0.84 AAK1 (0.43) KDM4EALDH1A1AAK1MTNR1AMTNR1B
SCHEMBL31107612 0.84 AAK1 (0.43) KDM4EALDH1A1AAK1MTNR1AMTNR1B
SCHEMBL30344315 0.84 AAK1 (0.43) KDM4EALDH1A1AAK1MTNR1AMTNR1B

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-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed