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Sugi Predict / Compounds / SCHEMBL7619360

SCHEMBL7619360

SCHEMBL7619360

CC(NC(=O)OCc1ccccc1)P(=O)(O)C[C@H](Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.68
▸ ECE1 P42892 14/20 0.60
▸ MME P08473 13/20 0.60
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ MMP1 P03956 1/20 0.53
▸ MMP3 P08254 1/20 0.53

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
SCHEMBL7619363 1.00 ACE2 (0.68) ACE2ECE1MMEMMP2MMP9
SCHEMBL7620840 1.00 ACE2 (0.68) ACE2ECE1MMEMMP2MMP9
SCHEMBL1764401 0.95 ACE2 (0.60) ACE2ECE1MMEMMP2MMP9
SCHEMBL6926440 0.92 ACE2 (0.57) ACE2ECE1MMEMMP2MMP9
SCHEMBL24991304 0.91 ACE2 (0.69) ACE2ECE1MMEMMP2MMP9
SCHEMBL1764208 0.91 ACE2 (0.69) ACE2ECE1MMEMMP2MMP9
SCHEMBL7613146 0.91 ACE2 (0.69) ACE2ECE1MMEMMP2MMP9
SCHEMBL7613489 0.91 ACE2 (0.69) ACE2ECE1MMEMMP2MMP9
SCHEMBL7619188 0.88 ACE2 (0.72) ACE2ECE1MME
SCHEMBL6928872 0.87 ACE2 (0.66) ACE2ECE1MMEMMP2MMP9

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-1073664-B1 (ALPHA-AMINOPHOSPHINO) PEPTIDESDERIVATIVE AND COMPOSITIONS CONTAINING SAME INST NAT SANTE RECH MED (FR) 2002-10-23 — — EP disclosed