SCHEMBL22798449

SCHEMBL22798449

CC(C)C(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.55
CTSG P08311 1/20 0.55
PREP P48147 1/20 0.54
ACE P12821 6/20 0.49
ACE2 Q9BYF1 4/20 0.49
CMA1 P23946 1/20 0.49

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
SCHEMBL18586542 1.00 ELANE (0.55) ELANECTSGPREPACEACE2
SCHEMBL18619650 0.90 PREP (0.55) ELANECTSGPREPACEACE2
SCHEMBL20485166 0.90 PREP (0.55) ELANECTSGPREPACEACE2
SCHEMBL18621665 0.89 ELANE (0.53) ELANECTSGPREPCMA1
SCHEMBL22209405 0.89 ELANE (0.53) ELANECTSGPREPCMA1
SCHEMBL18619647 0.89 CCR1 (0.57) ELANECTSGPREPACEACE2
SCHEMBL20484654 0.89 CCR1 (0.57) ELANECTSGPREPACEACE2
SCHEMBL22811076 0.89 ACE (0.56) PREPACEACE2
SCHEMBL22811291 0.88 ELANE (0.53) ELANECTSGPREPACECMA1
SCHEMBL22798176 0.88 ELANE (0.53) ELANECTSGPREPACECMA1

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 1 patent. 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