SCHEMBL8278084

SCHEMBL8278084

COC(=O)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 16/20 0.62
▸ MME P08473 15/20 0.62
▸ ACE2 Q9BYF1 1/20 0.58
▸ F2 P00734 1/20 0.55
▸ PLAU P00749 1/20 0.55
▸ PLAT P00750 1/20 0.55
▸ MMP8 P22894 1/20 0.54
▸ MMP14 P50281 1/20 0.54

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
SCHEMBL10718516 0.88 ACE2 (0.68) ECE1MMEACE2
SCHEMBL6928745 0.84 ECE1 (0.77) ECE1MMEACE2MMP8MMP14
SCHEMBL7397375 0.84 ECE1 (0.59) ECE1MMEACE2F2PLAU
SCHEMBL7291199 0.83 ECE1 (0.61) ECE1MMEACE2F2PLAU
SCHEMBL14334539 0.83 ECE1 (0.63) ECE1MMEACE2F2PLAU
SCHEMBL7328702 0.83 ECE1 (0.63) ECE1MMEACE2F2PLAU
SCHEMBL10717382 0.82 CTSL (0.52) ECE1MMEACE2
SCHEMBL17337467 0.82 KMT2A (0.51) PLAU
SCHEMBL7397132 0.82 F2 (0.65) ECE1MMEACE2F2PLAU
SCHEMBL6928069 0.81 ACE2 (0.81) ECE1MMEACE2

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
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 — — WO disclosed
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