Sugi Predict

Sugi Predict / Compounds / SCHEMBL8893315

SCHEMBL8893315

SCHEMBL8893315

CC(C)C(NC(=O)C(Cc1ccccc1)CC(OC(=O)COCC(=O)OCOC(=O)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.39
▸ CTSD P07339 3/20 0.38
▸ PSEN1 P49768 5/20 0.38
▸ PSEN2 P49810 5/20 0.38
▸ APH1B Q8WW43 5/20 0.38
▸ NCSTN Q92542 5/20 0.38
▸ APH1A Q96BI3 5/20 0.38
▸ PSENEN Q9NZ42 5/20 0.38
▸ APP P05067 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ BACE1 P56817 5/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.36

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
SCHEMBL8893723 0.93 REN (0.44) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8893662 0.93 REN (0.41) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8896478 0.88 CASP3 (0.39) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8893758 0.87 REN (0.41) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8894905 0.87 REN (0.41) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8892278 0.86 REN (0.44) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8894797 0.86 KMT2A (0.38) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8893266 0.85 REN (0.42) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8894487 0.85 REN (0.40) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8893045 0.84 CASP3 (0.38) RENPSEN1PSEN2APH1BNCSTN

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-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 — — US disclosed