SCHEMBL20729577

SCHEMBL20729577

COC(=O)C1[C@@H]2OC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
PTPN1 P18031 1/20 0.35
PDE4B Q07343 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33
CCR2 P41597 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RECQL P46063 1/20 0.31
EPHX1 P07099 1/20 0.31
KLK7 P49862 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL22604250 1.00 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BUSP2
SCHEMBL29548240 1.00 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BUSP2
SCHEMBL29548966 0.91 USP2 (0.36) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL31234629 0.86 USP2 (0.34) NR1H2NR1H3PTPN1PDE4BUSP2
SCHEMBL2565648 0.86 USP2 (0.34) NR1H2NR1H3PTPN1PDE4BUSP2
SCHEMBL2565651 0.86 USP2 (0.34) NR1H2NR1H3PTPN1PDE4BUSP2
SCHEMBL18549712 0.85 HSD17B10 (0.38) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL12480348 0.85 HSD17B10 (0.38) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL18549658 0.85 HSD17B10 (0.38) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL3428608 0.85 HSD17B10 (0.38) NR1H2USP2SMN1; SMN2CHRM2CHRM1

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
WO-2019032936-A1 LINCONSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT ADN FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed