SCHEMBL4723606

SCHEMBL4723606

CC1(C)CC2(CN(C3CCN(C(=O)c4c(NC(=O)O)sc5ccccc45)CC3)CCO2)C(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.67
ACACA Q13085 16/20 0.67

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
SCHEMBL3497440 0.90 ACACB (0.76) ACACBACACA
SCHEMBL13312486 0.90 ACACB (0.62) ACACBACACA
SCHEMBL3495120 0.87 ACACB (0.72) ACACBACACA
SCHEMBL3498235 0.83 ACACB (0.54) ACACBACACA
SCHEMBL4723681 0.82 ACACB (0.46) ACACBACACA
SCHEMBL3497208 0.81 ACACB (0.70) ACACBACACA
SCHEMBL3497323 0.78 ACACB (1.00) ACACBACACA
SCHEMBL3496400 0.78 ACACB (1.00) ACACBACACA
SCHEMBL4765697 0.76 ACACB (0.88) ACACBACACA
SCHEMBL3497865 0.76 CHEK1 (0.53) 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