SCHEMBL28044955

SCHEMBL28044955

CC(C)C(N)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.41
NLRP3 Q96P20 1/20 0.41
HPGD P15428 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL28141119 1.00 ELANE (0.44) ELANEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26814928 0.86 SMN1; SMN2 (0.47) ELANELMNAHPGDMEN1KMT2A
SCHEMBL2941688 0.85 GRIN2D (0.53) ELANEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6509969 0.85 GRIN2D (0.53) ELANEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26824432 0.84 LMNA (0.52) ELANECYP1A2CYP2C19CYP2C9LMNA
SCHEMBL28774781 0.84 ELANE (0.46) ELANECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL18295352 0.84 LMNA (0.52) ELANECYP1A2CYP2C19CYP2C9LMNA
SCHEMBL28774783 0.84 ELANE (0.46) ELANECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL28774785 0.82 ALDH1A1 (0.46) ELANECYP1A2HPGDMEN1KMT2A
SCHEMBL28774735 0.82 ELANE (0.44) ELANELMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294413-A Method for preparing aldehyde/ketone by catalyzing alcohol oxidation with iron salt UNIV ZHEJIANG TECHNOLOGY 2016-02-03 CN claimed
CN-114672524-B Bifunctional heme protein for catalyzing unnatural amino acid derivatives 吉林大学 2024-01-26 CN disclosed
CN-114672524-A Method for catalyzing unnatural amino acid derivative by using bifunctional heme protein 吉林大学 2022-06-28 CN disclosed
CN-105294413-A Method for preparing aldehyde/ketone by catalyzing alcohol oxidation with iron salt UNIV ZHEJIANG TECHNOLOGY 2016-02-03 CN disclosed