SCHEMBL31422729

SCHEMBL31422729

CC(C)(C)N(C(=O)OCc1ccccc1)[C@@H](CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
ABCB1 P08183 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCR6 P51684 1/20 0.39
PAX8 Q06710 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
SCHEMBL5421388 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL9219335 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL2957718 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL5146905 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL9697569 0.85 FOLH1 (0.51) ALDH1A1SMN1; SMN2FOLH1
SCHEMBL31087109 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL4832572 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAABCB1ITGB3
SCHEMBL4832582 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAABCB1ITGB3
SCHEMBL7473612 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL7382333 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2

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-119546186-A Method for controlling insect pests of plants 味之素株式会社 2025-02-28 CN disclosed