SCHEMBL28292859

SCHEMBL28292859

C[C@H](OC=O)N1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
KMT2A Q03164 1/20 0.42
NOTUM Q6P988 2/20 0.41
GAA P10253 2/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PTK2B Q14289 1/20 0.39
ESR2 Q92731 1/20 0.39
TP53 P04637 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
SCHEMBL27342036 1.00 ALDH1A1 (0.42) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL28647947 1.00 ALDH1A1 (0.42) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL27782379 0.91 NOTUM (0.44) ALDH1A1MEN1KMT2ANOTUMMAPT
SCHEMBL28255835 0.79 MAPT (0.45) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL27675115 0.79 NOTUM (0.45) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL28308856 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL28008452 0.77 MTNR1A (0.40) MAPTLMNA
SCHEMBL1102007 0.76 ALDH1A1 (0.48) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL27483964 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AGAAMAPTPOLB
SCHEMBL6262183 0.73 SLC6A2 (0.52) ALDH1A1MEN1USP2CDK4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113481181-B Recombinant esterase mutant, gene, engineering bacterium and application of recombinant esterase mutant in splitting (R, S) -indoline-2-ethyl formate 浙江工业大学 2023-02-03 CN disclosed
CN-113481181-A Recombinant esterase mutant, gene, engineering bacterium and application of recombinant esterase mutant in splitting (R, S) -indoline-2-ethyl formate 浙江工业大学 2021-10-08 CN disclosed
CN-110592045-B Recombinant esterase, gene, engineering bacterium and application of recombinant esterase to resolution of (R, S) -indoline-2-ethyl formate 浙江工业大学 2021-04-06 CN disclosed
CN-109762768-B Bacillus B8W22 and application thereof 浙江工业大学 2020-08-21 CN disclosed
CN-110592045-A Recombinant esterase, gene, engineering bacterium and application of recombinant esterase to resolution of (R, S) -indoline-2-ethyl formate 浙江工业大学 2019-12-20 CN disclosed
CN-109762768-A Bacillus B8W22 and its application 浙江工业大学 2019-05-17 CN disclosed
CN-104736519-A Indolines HOFFMANN LA ROCHE 2015-06-24 CN disclosed
CN-1238779-A Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARM INC (US) 1999-12-15 CN disclosed