SCHEMBL8530799

SCHEMBL8530799

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ATM Q13315 1/20 0.61
PSEN1 P49768 6/20 0.60
PSEN2 P49810 6/20 0.60
APH1B Q8WW43 6/20 0.60
NCSTN Q92542 6/20 0.60
APH1A Q96BI3 6/20 0.60
PSENEN Q9NZ42 6/20 0.60
MAPK1 P28482 1/20 0.57
CTSD P07339 2/20 0.56
ACE P12821 1/20 0.56
BACE1 P56817 3/20 0.55

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
SCHEMBL29602242 0.93 KMT2A (0.67) RENMEN1KMT2AATMACE
SCHEMBL8130179 0.93 KMT2A (0.67) RENMEN1KMT2AATMACE
SCHEMBL29484184 0.92 KMT2A (0.66) RENMEN1KMT2AATMPSEN1
SCHEMBL21244275 0.92 REN (0.71) RENMAPK1ACE
SCHEMBL3499528 0.92 REN (0.71) RENMAPK1ACE
SCHEMBL19341935 0.92 REN (0.71) RENMAPK1ACE
SCHEMBL3824374 0.92 REN (0.71) RENMAPK1ACE
SCHEMBL17629479 0.92 REN (0.71) RENMAPK1ACE
SCHEMBL9101385 0.91 REN (0.73) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL3046634 0.91 REN (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5514778-A ENZYME INHIBITORS OF PROTEOLYTIC ENZYMES FOR RHINOVIRUSES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
EP-0632051-A1 Anti-picornaviral agents ELI LILLY AND COMPANY (US) 1995-01-04 EP disclosed