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SCHEMBL20526403

SCHEMBL20526403

CC(OC(=O)NC(C)P(=O)(O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C)C(=O)OC(=O)C(CCc1ccccc1)NC(=O)C(Cc1ccc(Br)cc1)CP(=O)(O)C(C)NC(=O)OC(C)OC(=O)C(C)C)OC(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.46
▸ ANPEP P15144 2/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ ERAP2 Q6P179 3/20 0.43
▸ LNPEP Q9UIQ6 3/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP14 P50281 1/20 0.43

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
SCHEMBL20526402 0.86 MME (0.55) MMEANPEPMMP2MMP9MMP8
SCHEMBL12596616 0.85 ECE1 (0.54) MMEMMP1MMP3MMP2MMP9
SCHEMBL1763989 0.85 ECE1 (0.54) MMEMMP1MMP3MMP2MMP9
SCHEMBL1763939 0.85 MME (0.55) MMEANPEPMMP2MMP9MMP8
SCHEMBL12596609 0.85 MME (0.55) MMEANPEPMMP2MMP9MMP8
SCHEMBL1764587 0.84 MME (0.52) MMEANPEPMMP2MMP9MMP8
SCHEMBL12596611 0.84 MME (0.52) MMEANPEPMMP2MMP9MMP8
SCHEMBL1764171 0.84 MME (0.55) MMEANPEPMMP2MMP9MMP8
SCHEMBL12596605 0.84 MME (0.55) MMEANPEPMMP2MMP9MMP8
SCHEMBL1764379 0.84 MME (0.65) MMEANPEP

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-3383403-A1 AMINOPHOSPHINIC DERIVATIVES FOR PREVENTING AND TREATING EYE PAIN Pharmaleads (FR) 2018-10-10 — — EP disclosed