SCHEMBL18621027

SCHEMBL18621027

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.53
ELANE P08246 12/20 0.49
CTSG P08311 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ACE P12821 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL22209481 1.00 PREP (0.53) PREPELANECTSGTAAR1ACE
SCHEMBL22209405 0.91 ELANE (0.53) PREPELANECTSGTAAR1
SCHEMBL18621665 0.91 ELANE (0.53) PREPELANECTSGTAAR1
SCHEMBL20485166 0.89 PREP (0.55) PREPELANECTSGACE
SCHEMBL18619650 0.89 PREP (0.55) PREPELANECTSGACE
SCHEMBL22209505 0.88 CCR1 (0.54) PREPELANETAAR1
SCHEMBL22209486 0.88 PREP (0.52) PREPELANECTSGTAAR1ACE
SCHEMBL22209430 0.88 LMNA (0.53) PREPELANECTSGTAAR1ACE
SCHEMBL18619671 0.88 LMNA (0.53) PREPELANECTSGTAAR1ACE
SCHEMBL22209498 0.88 PREP (0.52) PREPELANECTSGTAAR1ACE

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
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 WO disclosed