Sugi Predict

Sugi Predict / Compounds / SCHEMBL9755824

SCHEMBL9755824

SCHEMBL9755824

CC(C)C[C@H](NC(=O)[C@@H](CC(=O)CC#N)Cc1ccccc1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.80
▸ MMP2 P08253 1/20 0.56
▸ MMP7 P09237 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP12 P39900 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ BIRC2 Q13490 1/20 0.55
▸ LTA4H P09960 3/20 0.51
▸ ECE1 P42892 1/20 0.50

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
SCHEMBL9755830 0.90 BIRC2 (0.70) MMEBIRC2
SCHEMBL9755834 0.89 MME (1.00) MMEMMP2MMP7MMP9MMP12
SCHEMBL9755802 0.86 MME (0.76) MMELTA4HECE1
SCHEMBL11119167 0.84 MME (0.76) MMEMMP2MMP7MMP9MMP12
SCHEMBL11122736 0.84 MME (0.76) MMEMMP2MMP7MMP9MMP12
SCHEMBL11119164 0.84 MME (0.76) MMEMMP2MMP7MMP9MMP12
SCHEMBL11122302 0.84 MME (0.76) MMEMMP2MMP7MMP9MMP12
SCHEMBL11122734 0.84 MME (0.76) MMEMMP2MMP7MMP9MMP12
SCHEMBL9755813 0.83 MME (0.78) MMEBIRC2
SCHEMBL27348943 0.82 MME (0.69) MMEMMP2MMP7MMP9MMP12

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-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 — — WO disclosed