SCHEMBL31456183

SCHEMBL31456183

C1CCC(NC2CCCCC2)CC1.CN(C(=O)OCc1ccccc1)[C@@H](COC1CCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CTSK P43235 4/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ENPP2 Q13822 1/20 0.41
ABCB1 P08183 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL31456283 0.93 ITGB3 (0.48) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL25186516 0.93 ITGB3 (0.48) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL25186382 0.88 ITGB3 (0.50) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL5420798 0.83 ITGB3 (0.46) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL28813126 0.81 ITGB3 (0.46) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL248887 0.81 ITGB3 (0.46) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL24821124 0.78 ITGB3 (0.52) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL5123960 0.78 ALDH1A1 (0.52) ALDH1A1CTSKSIGMAR1EPHX1MEN1
SCHEMBL27652104 0.78 ALDH1A1 (0.52) ALDH1A1CTSKSIGMAR1EPHX1MEN1
SCHEMBL5122891 0.78 ALDH1A1 (0.52) ALDH1A1CTSKSIGMAR1EPHX1MEN1

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-119630640-A Process for the production of O-substituted serine derivatives 中外制药株式会社 2025-03-14 CN disclosed