SCHEMBL31456283

SCHEMBL31456283

CN(C(=O)OCc1ccccc1)[C@@H](COC1CCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ABCB1 P08183 2/20 0.43
TSHR P16473 1/20 0.41
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 1/20 0.39
FOLH1 Q04609 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 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
SCHEMBL25186516 1.00 ITGB3 (0.48) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL25186382 0.95 ITGB3 (0.50) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL31456183 0.93 ITGB3 (0.46) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL5420798 0.90 ITGB3 (0.46) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL22122240 0.83 ITGB3 (0.52) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL22122242 0.83 ITGB3 (0.52) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL25182704 0.81 FABP5 (0.38)
SCHEMBL25185704 0.81 FABP5 (0.38)
SCHEMBL29855174 0.81 FABP5 (0.38)
SCHEMBL14842127 0.81 ABCB1 (0.52) ITGB3ITGA2BCTSKCTSLCTSB

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
EP-4541787-A1 METHOD FOR PRODUCING O-SUBSTITUTED SERINE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-04-23 EP disclosed
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