Sugi Predict

Sugi Predict / Compounds / SCHEMBL9700520

SCHEMBL9700520

SCHEMBL9700520

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 15/20 0.58
▸ PREP P48147 2/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ REN P00797 1/20 0.51
▸ ACE P12821 1/20 0.50
▸ CTRC Q99895 2/20 0.49

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
SCHEMBL9700519 1.00 CMA1 (0.58) CMA1PREPMAPK1RENACE
SCHEMBL9699165 0.92 CMA1 (0.65) CMA1PREPACECTRC
SCHEMBL9699161 0.92 CMA1 (0.65) CMA1PREPACECTRC
SCHEMBL9699156 0.90 CMA1 (0.58) CMA1PREPACE
SCHEMBL9699162 0.90 CMA1 (0.58) CMA1PREPACE
SCHEMBL23894836 0.86 CMA1 (0.54) CMA1PREPACECTRC
SCHEMBL17282930 0.86 PREP (0.62) CMA1PREPRENACE
SCHEMBL29770348 0.85 CMA1 (0.59) CMA1RENCTRC
SCHEMBL30689118 0.85 KMT2A (0.51) CMA1MAPK1REN
SCHEMBL9699149 0.85 PREP (0.61) CMA1PREPACE

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
WO-1992004370-A1 MODIFIED DI- AND TRIPEPTIDYL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-03-19 — — WO claimed
WO-1992004370-A1 MODIFIED DI- AND TRIPEPTIDYL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-03-19 — — WO disclosed