SCHEMBL31456302

SCHEMBL31456302

CCCOC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
CTSL P07711 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 5/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
CTSB P07858 1/20 0.51
ITGB3 P05106 5/20 0.50
ITGA2B P08514 5/20 0.50
PPARG P37231 2/20 0.50
TLR2 O60603 2/20 0.50
CASP1 P29466 1/20 0.50
FOLH1 Q04609 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL12879969 0.92 CTSL (0.57) PPARACTSLCTSSCTSKSIRT2
SCHEMBL16582478 0.92 CTSL (0.57) PPARACTSLCTSSCTSKSIRT2
SCHEMBL21837541 0.91 PPARA (0.58) PPARACTSLCTSSCTSKCTSB
SCHEMBL21837546 0.91 PPARA (0.58) PPARACTSLCTSSCTSKCTSB
SCHEMBL4391662 0.89 PPARA (0.57) PPARACTSLCTSSCTSKCTSB
SCHEMBL31456180 0.88 ALDH1A1 (0.50) PPARACTSLCTSSCTSKSIRT2
SCHEMBL1024175 0.88 PPARA (0.64) PPARACTSLCTSSCTSKCTSB
SCHEMBL28595041 0.88 PPARA (0.64) PPARACTSLCTSSCTSKCTSB
SCHEMBL1171673 0.88 PPARA (0.64) PPARACTSLCTSSCTSKCTSB
SCHEMBL31456215 0.87 CTSK (0.56) PPARACTSLCTSSCTSKCTSB

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