SCHEMBL8894797

SCHEMBL8894797

CC(C)C(NC(=O)C(Cc1ccc(F)cc1)CC(OC(=O)COCCN(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
REN P00797 2/20 0.37
CASP3 P42574 1/20 0.37
PSEN1 P49768 8/20 0.36
PSEN2 P49810 8/20 0.36
APH1B Q8WW43 8/20 0.36
NCSTN Q92542 8/20 0.36
APH1A Q96BI3 8/20 0.36
PSENEN Q9NZ42 8/20 0.36
APP P05067 1/20 0.36
BACE1 P56817 2/20 0.36
PABPC1 P11940 1/20 0.36
CTSD P07339 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8896478 0.93 CASP3 (0.39) KMT2ARENCASP3PSEN1PSEN2
SCHEMBL8893758 0.91 REN (0.41) KMT2ARENCASP3PSEN1PSEN2
SCHEMBL8894905 0.91 REN (0.41) KMT2ARENCASP3PSEN1PSEN2
SCHEMBL8894487 0.90 REN (0.40) KMT2ARENCASP3PSEN1PSEN2
SCHEMBL8893723 0.89 REN (0.44) KMT2ARENCASP3PSEN1PSEN2
SCHEMBL8893662 0.89 REN (0.41) KMT2ARENCASP3PSEN1PSEN2
SCHEMBL8893045 0.88 CASP3 (0.38) RENCASP3PSEN1PSEN2APH1B
SCHEMBL8893315 0.86 REN (0.39) KMT2ARENCASP3PSEN1PSEN2
SCHEMBL7435623 0.85 PSEN1 (0.40) KMT2ARENCASP3PSEN1PSEN2
SCHEMBL7442606 0.85 PSEN1 (0.40) KMT2ARENCASP3PSEN1PSEN2

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
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed