SCHEMBL30165656

SCHEMBL30165656

CC#CC(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.30

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
SCHEMBL30165654 0.77 SMN1; SMN2 (0.36) KMT2A
SCHEMBL7255121 0.73 ALDH1A1 (0.37) KMT2AMEN1GAALMNA
SCHEMBL635059 0.70 KMT2A (0.40) CTSKKMT2AMEN1GAALMNA
SCHEMBL635058 0.70 KMT2A (0.40) CTSKKMT2AMEN1GAALMNA
SCHEMBL6058611 0.67 TSHR (0.50) KMT2AMEN1GAALMNA
SCHEMBL1721887 0.67 KMT2A (0.37) CTSKKMT2AMEN1GAALMNA
SCHEMBL3799840 0.67 KMT2A (0.37) CTSKKMT2AMEN1GAALMNA
SCHEMBL1088194 0.67 KMT2A (0.37) CTSKKMT2AMEN1GAALMNA
SCHEMBL17709680 0.67 KMT2A (0.34) KMT2AMEN1GAALMNA
SCHEMBL2512446 0.67 DGAT1 (0.36) KMT2AMEN1GAA

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-113444041-B Method for synthesizing polysubstituted quinoline compound by photocatalysis 安徽理工大学 2023-10-03 CN disclosed
CN-115557888-A Method for preparing quinoline derivative by photocatalysis of N-aryl glycine ester 安徽理工大学 2023-01-03 CN disclosed