SCHEMBL29896591

SCHEMBL29896591

CC(C)[C@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.56
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PREP P48147 1/20 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
SCHEMBL7285001 0.91 ELANE (0.66) ELANE
SCHEMBL18619617 0.90 PREP (0.53) ELANEPREP
SCHEMBL20484656 0.90 PREP (0.53) ELANEPREP
SCHEMBL18620887 0.87 PREP (0.50) ELANEPREP
SCHEMBL20485172 0.87 PREP (0.50) ELANEPREP
SCHEMBL20484583 0.84 POLB (0.54) POLBSMN1; SMN2
SCHEMBL18620665 0.84 POLB (0.54) POLBSMN1; SMN2
SCHEMBL18620639 0.84 CCR1 (0.53) ELANEPREP
SCHEMBL20484720 0.84 CCR1 (0.53) ELANEPREP
SCHEMBL18619558 0.81 ACE (0.62) PREP

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
US-11458477-B2 Evacuated blood collection tubes containing protease inhibitors for the assessment of contact system activation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed