SCHEMBL24374682

SCHEMBL24374682

CSC[C@H](NC(=O)CCCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.45
▸ GSTK1 Q9Y2Q3 1/20 0.45
▸ GLO1 Q04760 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ FAAH O00519 1/20 0.36
▸ PSMB11 A5LHX3 2/20 0.35
▸ PSMA7 O14818 2/20 0.35
▸ PSMB1 P20618 2/20 0.35
▸ PSMA1 P25786 2/20 0.35
▸ PSMA2 P25787 2/20 0.35
▸ PSMA3 P25788 2/20 0.35
▸ PSMA4 P25789 2/20 0.35
▸ PSMB8 P28062 2/20 0.35

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
SCHEMBL19774718 0.90 PTGS1 (0.42) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL26242264 0.89 PTGS1 (0.46) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL20438348 0.89 PTGS1 (0.46) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL24072492 0.87 PTGS1 (0.42) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL19940239 0.84 PTGS1 (0.47) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL19492417 0.83 PTGS1 (0.41) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL23966122 0.83 PTGS1 (0.41) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL24829528 0.81 GSTK1 (0.65) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL19774705 0.81 GSTK1 (0.65) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL18383664 0.81 GSTK1 (0.65) PTGS1GSTK1GLO1ALDH1A1LMNA

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
US-20230183440-A1 CHEMOENZYMATIC DEGRADATION OF EPOXY RESINS SOLVAY SA (BE) 2023-06-15 — — US disclosed
WO-2022084747-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 — — WO disclosed
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