SCHEMBL28933203

SCHEMBL28933203

N=C(N)NCCCC(NC(=O)CN)C(=O)NCC(=O)NC(CS)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.42
▸ GSTK1 Q9Y2Q3 1/20 0.42
▸ FNTA P49354 2/20 0.36
▸ FNTB P49356 2/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ QRFPR Q96P65 1/20 0.36
▸ NPY4R P50391 6/20 0.36
▸ NPY5R Q15761 6/20 0.36
▸ NPY1R P25929 5/20 0.36
▸ NPY2R P49146 3/20 0.36
▸ C3AR1 Q16581 1/20 0.35
▸ ACE P12821 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL28933196 1.00 PTGS1 (0.42) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29875551 0.93 C3AR1 (0.40) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29533805 0.92 QRFPR (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29534033 0.92 NPY4R (0.41) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29595677 0.91 TFPI (0.38) PTGS1GSTK1SLC15A2
SCHEMBL29630598 0.89 QRFPR (0.42) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29405094 0.88 ITGB3 (0.38) PTGS1GSTK1QRFPRNPY4RNPY5R
SCHEMBL31593243 0.88 SLC15A2 (0.43) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL12646501 0.88 ITGB3 (0.38) PTGS1GSTK1QRFPRNPY4RNPY5R
SCHEMBL30481161 0.87 NOD1 (0.43) QRFPRNOD1

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
CN-115605215-A Treatment to improve or reduce impairment of mitochondrial function 急速制药有限责任公司(US) 2023-01-13 — — CN claimed
CN-115605215-A Treatment to improve or reduce impairment of mitochondrial function 急速制药有限责任公司(US) 2023-01-13 — — CN disclosed
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