Sugi Predict

Sugi Predict / Compounds / SCHEMBL8450109

SCHEMBL8450109

SCHEMBL8450109

CC(C)CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.52
▸ ACE P12821 6/20 0.52
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ TACR1 P25103 2/20 0.44
▸ CTSB P07858 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ F2 P00734 1/20 0.40

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
SCHEMBL7567660 0.96 MME (0.58) MMEACEHDAC1HDAC6
SCHEMBL7567652 0.96 MME (0.58) MMEACEHDAC1HDAC6
SCHEMBL8450243 0.94 MME (0.57) MMEACETACR1CTSBMMP3
SCHEMBL8447122 0.94 MME (0.57) MMEACETACR1CTSBMMP3
SCHEMBL8453091 0.91 MME (0.48) MMEACETACR1CTSBMMP3
SCHEMBL8446494 0.91 MME (0.53) MMEACETACR1CTSBCTSL
SCHEMBL8451243 0.91 MME (0.53) MMEACETACR1CTSBCTSL
SCHEMBL8452660 0.90 MME (0.52) MMEACETACR1CTSBCTSL
SCHEMBL27464916 0.90 MME (0.63) MMEACEHDAC1HDAC6TACR1
SCHEMBL7568928 0.89 MME (0.64) MMEACEMMP3

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-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 — — US disclosed