SCHEMBL8535259

SCHEMBL8535259

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](Cc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@@H](N)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ APP P05067 1/20 0.41
▸ CTSS P25774 2/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CTSD P07339 1/20 0.38
▸ ACE P12821 1/20 0.38

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
SCHEMBL8535555 0.78 ATM (0.50) KLK5KMT2AATMMEN1APP
SCHEMBL9011708 0.77 CTSB (0.44) KMT2AMEN1CTSSCTSLCTSB
SCHEMBL15095217 0.77 ATM (0.46) KLK5KMT2AATMMEN1APP
SCHEMBL9011901 0.75 CTSB (0.44) KMT2AATMMEN1CTSSCTSL
SCHEMBL9012148 0.75 CTSB (0.44) KMT2AATMMEN1CTSSCTSL
SCHEMBL6446223 0.71 ATM (0.50) KLK5KMT2AATMMEN1APP
SCHEMBL1414624 0.67 CTSK (0.52) KLK5KMT2AATMMEN1APP
SCHEMBL7269319 0.67 KLK5 (0.59) KLK5ATMAPPCTSSPSEN1
SCHEMBL20516430 0.67 ATM (0.52) KLK5KMT2AATMMEN1APP
SCHEMBL20516427 0.67 ATM (0.52) KLK5KMT2AATMMEN1APP

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-5712417-A Inhibitors of retroviral proteases ABBOTT LABORATORIES (US) 1998-01-27 — — US disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 — — EP disclosed
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