Sugi Predict

Sugi Predict / Compounds / SCHEMBL9338989

SCHEMBL9338989

SCHEMBL9338989

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)N[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 4/20 0.40
▸ REN P00797 1/20 0.37
▸ MMP12 P39900 2/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL9338908 0.85 LMNA (0.46) MMP12MMP9LMNAKMT2APOLB
SCHEMBL14342135 0.76 LMNA (0.43) MMP12MMP9LMNAKMT2APOLB
SCHEMBL16509797 0.73 LMNA (0.49) MMP12MMP9LMNAKMT2APOLB
SCHEMBL13694948 0.73 LMNA (0.49) MMP12MMP9LMNAKMT2APOLB
SCHEMBL23627066 0.73 LMNA (0.41) MMP12MMP9LMNAKMT2APOLB
SCHEMBL7302828 0.73 CA2 (0.44) MMP12MMP9LMNAKMT2APOLB
SCHEMBL17287140 0.71 LMNA (0.51) MMP12MMP9LMNAKMT2APOLB
SCHEMBL23077722 0.71 LMNA (0.51) MMP12MMP9LMNAKMT2APOLB
SCHEMBL17287141 0.71 LMNA (0.51) MMP12MMP9LMNAKMT2APOLB
SCHEMBL17956609 0.71 LMNA (0.56) MMP12MMP9LMNAKMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295540-B1 Solid-phase system containing allylic chains, process for its preparation and its use in solid-phase reactions ORPEGEN MED MOLEKULARBIOFORSCH (DE) 1994-05-11 — — EP disclosed
EP-0295540-A2 Solid-phase system containing allylic chains, process for its preparation and its use in solid-phase reactions ORPEGEN Medizinisch-Molekularbiologische Forschungsgesellschaft m.b.H (DE) 1988-12-21 — — EP disclosed
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