SCHEMBL8624872

SCHEMBL8624872

CC(NC(=O)CC(CC(=O)O)C(=O)O)C(Cc1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 9/20 0.77
MME P08473 2/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
PIN1 Q13526 2/20 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
SCHEMBL8624764 0.91 FDFT1 (0.79) FDFT1
SCHEMBL8619460 0.90 FDFT1 (0.62) FDFT1MMEACECPA1ACE2
SCHEMBL8623147 0.87 FDFT1 (1.00) FDFT1
SCHEMBL8622842 0.87 FDFT1 (1.00) FDFT1
SCHEMBL8623004 0.86 FDFT1 (1.00) FDFT1
SCHEMBL8619157 0.86 FDFT1 (1.00) FDFT1
SCHEMBL8621720 0.86 FDFT1 (1.00) FDFT1
SCHEMBL8623936 0.85 FDFT1 (0.79) FDFT1
SCHEMBL8619649 0.84 FDFT1 (0.55) FDFT1MMEACECPA1ACE2
SCHEMBL8620883 0.82 FDFT1 (0.94) FDFT1MME

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
US-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 US disclosed