SCHEMBL13636599

SCHEMBL13636599

CCN1C(=O)CC2(CCN(C(=O)c3c(N)sc4ccccc34)CC2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.49
ACACA Q13085 16/20 0.48
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3494625 0.90 ACACB (0.47) ACACBACACAALDH1A1HPGD
SCHEMBL3495519 0.85 ACACB (0.47) ACACBACACAALDH1A1HPGD
SCHEMBL3493127 0.82 ACACB (0.66) ACACBACACA
SCHEMBL13636597 0.78 ACACB (0.45) ACACBACACAALDH1A1HPGDKDM4E
SCHEMBL3497401 0.78 ACACB (0.79) ACACBACACA
SCHEMBL3495363 0.77 ACACB (0.45) ACACBACACAALDH1A1HPGDKDM4E
SCHEMBL2212213 0.75 TP53 (0.51) ACACBACACAALDH1A1HPGDKDM4E
SCHEMBL13969593 0.74 HPGD (0.54) ACACBALDH1A1HPGDKDM4EGAA
SCHEMBL3492059 0.74 EPHX2 (0.48) ACACB
SCHEMBL3491661 0.74 ACACB (0.44) 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-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed