SCHEMBL21065976

SCHEMBL21065976

CC(C)C(C(=O)O)N(C)CC(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
APP P05067 4/20 0.55
KLK5 Q9Y337 2/20 0.49
ACE P12821 1/20 0.49
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
CYP3A4 P08684 5/20 0.46
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46

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
SCHEMBL13731756 1.00 ATM (0.59) ATMAPPKLK5ACECTSS
SCHEMBL13738012 1.00 ATM (0.59) ATMAPPKLK5ACECTSS
SCHEMBL21501009 0.85 ATM (0.67) ATMAPPKLK5ACECTSS
SCHEMBL21501008 0.85 ATM (0.67) ATMAPPKLK5ACECTSS
SCHEMBL271498 0.81 ATM (0.64) ATMAPPACECTSSCTSL
SCHEMBL273008 0.81 ATM (0.64) ATMAPPACECTSSCTSL
SCHEMBL271499 0.81 ATM (0.64) ATMAPPACECTSSCTSL
SCHEMBL6312621 0.80 ATM (0.70) ATMAPPKLK5ACECTSS
SCHEMBL273006 0.80 ATM (0.70) ATMAPPKLK5ACECTSS
SCHEMBL30334225 0.80 ATM (0.70) ATMAPPKLK5ACECTSS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed
CN-106117312-A New bonding agent drug conjugate (ADC) and application thereof 西雅图基因公司 2016-11-16 CN disclosed
CN-104254342-A FGRF antibody drug conjugates (ADCs) and the use thereof SEATTLE GENETICS INC 2014-12-31 CN disclosed
CN-103826661-A Novel binding agent-drug conjugates (ADCs) and uses thereof SEATTLE GENETICS INC 2014-05-28 CN disclosed
CN-103764170-A Novel binder-drug conjugates (ADCs) and their use SEATTLE GENETICS INC 2014-04-30 CN disclosed