SCHEMBL4723100

SCHEMBL4723100

CCNC(=O)Nc1sc(/C=C/C(=O)O)cc1C(=O)N1CCC(N2CCCC3(C2)CC(C)(C)OC3=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.64
ACACA Q13085 15/20 0.64

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
SCHEMBL4723108 1.00 ACACB (0.64) ACACBACACA
SCHEMBL3498135 0.92 ACACB (0.61) ACACBACACA
SCHEMBL3498140 0.89 ACACB (0.63) ACACBACACA
SCHEMBL3498142 0.89 ACACB (0.63) ACACBACACA
SCHEMBL3498994 0.86 ACACB (0.51) ACACBACACA
SCHEMBL3498991 0.86 ACACB (0.51) ACACBACACA
SCHEMBL3497388 0.86 ACACB (0.65) ACACBACACA
SCHEMBL3495633 0.86 ACACB (0.70) ACACBACACA
SCHEMBL3496988 0.85 ACACB (0.65) ACACBACACA
SCHEMBL3498327 0.84 ACACB (0.64) ACACBACACA

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-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed