SCHEMBL28857047

SCHEMBL28857047

NC(=O)OC1CCCCN(C(=O)CCl)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
TPSAB1 Q15661 10/20 0.36
TPSD1 Q9BZJ3 10/20 0.36
TPSG1 Q9NRR2 10/20 0.36
ATM Q13315 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
PRSS1 P07477 3/20 0.34
F2 P00734 2/20 0.34
PLG P00747 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL28857052 0.83 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2POLBHTT
SCHEMBL28928304 0.82 ATM (0.37) ALDH1A1LMNASMN1; SMN2POLBTPSAB1
Hydrochloric Acid SCHEMBL9836812 0.79 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2POLBTPSAB1
SCHEMBL29179866 0.79 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2POLBHTT
SCHEMBL28523191 0.77 ATM (0.42) ALDH1A1SMN1; SMN2POLBHTTTPSAB1
SCHEMBL29260116 0.77 TPSAB1 (0.39) ALDH1A1LMNASMN1; SMN2POLBTPSAB1
SCHEMBL29260114 0.77 TPSAB1 (0.39) ALDH1A1LMNASMN1; SMN2POLBTPSAB1
SCHEMBL22387906 0.77 MEN1 (0.40) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28857104 0.77 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2POLBHTT
SCHEMBL23145119 0.76 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2POLBHTT

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-115151561-A Targeted autophagy conjugates and methods 前沿药品公司 2022-10-04 CN disclosed