Sugi Predict

Sugi Predict / Compounds / SCHEMBL8823937

SCHEMBL8823937

SCHEMBL8823937

CCOCC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.51
▸ CAPN1 P07384 1/20 0.50
▸ CAPN2 P17655 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CTSK P43235 5/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47

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
SCHEMBL8823922 0.93 KMT2A (0.52) KMT2A
SCHEMBL8823960 0.91 CAPN1 (0.58) CAPN1CAPN2SIRT5CTSKCTSS
SCHEMBL31624479 0.82 FOLH1 (0.62) KMT2A
SCHEMBL178700 0.82 FOLH1 (0.62) KMT2A
SCHEMBL29401164 0.82 FOLH1 (0.62) KMT2A
SCHEMBL8823890 0.82 FOLH1 (0.62) KMT2A
SCHEMBL178815 0.82 FOLH1 (0.62) KMT2A
SCHEMBL29401850 0.82 FOLH1 (0.62) KMT2A
SCHEMBL22804067 0.82 FOLH1 (0.62) KMT2A
SCHEMBL29370715 0.82 FOLH1 (0.62) KMT2A

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-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO claimed
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO disclosed