SCHEMBL29570595

SCHEMBL29570595

CC(C)CC1CCC=C(c2ncc(OC(C)C)cn2)NC1CO

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.30

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
SCHEMBL24325983 0.74
SCHEMBL24326435 0.72
SCHEMBL24326422 0.70 ABL1 (0.31) ACACB
SCHEMBL29060385 0.70
SCHEMBL24326413 0.61
SCHEMBL27025245 0.60 ACACB (0.31) ACACB
SCHEMBL24325999 0.60 ACACB (0.31) ACACB
SCHEMBL24326414 0.58 CTSD (0.41)
SCHEMBL29060372 0.57
SCHEMBL18484467 0.55 KMT2A (0.38) ACACB

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-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed