SCHEMBL21300810

SCHEMBL21300810

CCCCNP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 13/20 0.61
▸ MME P08473 11/20 0.61
▸ MMP8 P22894 1/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ ACE2 Q9BYF1 1/20 0.53
▸ F2 P00734 2/20 0.52
▸ PLAU P00749 2/20 0.52
▸ PLAT P00750 2/20 0.52
▸ PLG P00747 1/20 0.51

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
SCHEMBL1688341 0.82 ECE1 (0.63) ECE1MMEMMP8MMP14ACE2
SCHEMBL16856590 0.82 ECE1 (0.58) ECE1MMEMMP8MMP14ACE2
SCHEMBL28101997 0.82 ECE1 (0.58) ECE1MMEMMP8MMP14ACE2
SCHEMBL7291199 0.80 ECE1 (0.61) ECE1MMEACE2F2PLAU
SCHEMBL14334539 0.80 ECE1 (0.63) ECE1MMEACE2F2PLAU
SCHEMBL7328702 0.80 ECE1 (0.63) ECE1MMEACE2F2PLAU
SCHEMBL7716999 0.80 ECE1 (0.60) ECE1MMEACE2F2PLAU
SCHEMBL10958149 0.79 ECE1 (0.59) ECE1MMEACE2F2PLAU
Bromide SCHEMBL1436853 0.79 ECE1 (0.59) ECE1MMEACE2F2PLAU
SCHEMBL7397375 0.78 ECE1 (0.59) ECE1MMEACE2F2PLAU

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
EP-3082877-B1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2019-08-28 — — EP disclosed
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