SCHEMBL10109734

SCHEMBL10109734

C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1/C=C/C=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
UCHL1 P09936 1/20 0.33

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
SCHEMBL823031 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL820289 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL115203 0.84 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL374638 0.84 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL116370 0.84 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL116350 0.82 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL116242 0.82 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL820863 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL14303234 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL381039 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3HSD17B10HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409984-A1 Dimeric IAP Antagonists TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2012-01-25 EP disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO disclosed