SCHEMBL4723681

SCHEMBL4723681

CC1(C)CC2(CN(C3CCN(C(=O)c4cc(-c5ccccc5)sc4NC(=O)O)CC3)CCO2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.46
ACACA Q13085 13/20 0.46
CHEK1 O14757 1/20 0.44
ABCC1 P33527 1/20 0.39

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
SCHEMBL3497865 0.94 CHEK1 (0.53) ACACBACACACHEK1
SCHEMBL13312530 0.91 ACACB (0.42) ACACBACACACHEK1ABCC1
SCHEMBL3499490 0.88 ACACB (0.48) ACACBACACACHEK1
SCHEMBL3497534 0.85 ACACB (0.61) ACACBACACACHEK1
SCHEMBL3498467 0.84 ACACB (0.42) ACACBACACACHEK1
SCHEMBL4723606 0.82 ACACB (0.67) ACACBACACA
SCHEMBL4723871 0.79 ACACB (0.56) ACACBACACACHEK1
SCHEMBL4723603 0.79 ACACB (0.56) ACACBACACA
SCHEMBL4723896 0.79 ACACB (0.54) ACACBACACACHEK1
SCHEMBL4724720 0.79 ACACB (0.57) 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