SCHEMBL4722531

SCHEMBL4722531

CC1(C)CC2(CCCN(C3CCN(C(=O)c4cc(-c5ccccc5)sc4NC(NC(=O)O)NC(=O)O)CC3)C2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.59
ACACA Q13085 15/20 0.59

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
SCHEMBL3497534 0.90 ACACB (0.61) ACACBACACA
SCHEMBL3499502 0.87 ACACB (0.54) ACACBACACA
SCHEMBL3495633 0.85 ACACB (0.70) ACACBACACA
SCHEMBL3498381 0.85 ACACB (0.64) ACACBACACA
SCHEMBL3495844 0.85 ACACB (0.67) ACACBACACA
SCHEMBL4723871 0.84 ACACB (0.56) ACACBACACA
SCHEMBL13312360 0.84 ACACB (0.56) ACACBACACA
SCHEMBL4723603 0.84 ACACB (0.56) ACACBACACA
SCHEMBL4724720 0.84 ACACB (0.57) ACACBACACA
SCHEMBL4723896 0.84 ACACB (0.54) 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