SCHEMBL4722589

SCHEMBL4722589

CC1(C)CC2(CCCN(C3CCN(C(=O)c4cc(OCC(=O)O)ccc4N)CC3)C2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.57
ACACA Q13085 15/20 0.57

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
SCHEMBL14222044 0.91 ACACB (0.54) ACACBACACA
SCHEMBL13312604 0.90 ACACB (0.53) ACACBACACA
SCHEMBL3496436 0.86 ACACB (0.55) ACACBACACA
SCHEMBL4720775 0.86 ACACB (0.60) ACACBACACA
SCHEMBL3497938 0.85 ACACB (0.59) ACACBACACA
SCHEMBL3495739 0.85 ACACB (0.55) ACACBACACA
SCHEMBL3497820 0.85 ACACB (0.64) ACACBACACA
SCHEMBL4724344 0.84 ACACB (0.52) ACACBACACA
SCHEMBL3498429 0.84 ACACB (0.63) ACACBACACA
SCHEMBL3498836 0.83 ACACB (0.65) 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