SCHEMBL22798176

SCHEMBL22798176

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.53
CTSG P08311 1/20 0.52
CMA1 P23946 2/20 0.49
PREP P48147 1/20 0.48
ACE P12821 1/20 0.47

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
SCHEMBL22811291 1.00 ELANE (0.53) ELANECTSGCMA1PREPACE
SCHEMBL18620885 1.00 ELANE (0.53) ELANECTSGCMA1PREPACE
SCHEMBL22209446 0.91 ELANE (0.53) ELANECTSGCMA1PREP
SCHEMBL18620672 0.91 ELANE (0.53) ELANECTSGCMA1PREP
SCHEMBL22798165 0.89 CMA1 (0.51) ELANECTSGCMA1ACE
SCHEMBL22209387 0.89 CMA1 (0.51) ELANECTSGCMA1ACE
SCHEMBL3471466 0.88 LMNA (0.53) ELANECTSGPREPACE
SCHEMBL20484733 0.88 LMNA (0.53) ELANECTSGPREPACE
SCHEMBL18586542 0.88 ELANE (0.55) ELANECTSGCMA1PREPACE
SCHEMBL22798449 0.88 ELANE (0.55) ELANECTSGCMA1PREPACE

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