SCHEMBL18018530

SCHEMBL18018530

CCC(C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACE P12821 7/20 0.51
REN P00797 4/20 0.51
KDM4E B2RXH2 1/20 0.51
F2 P00734 1/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 1/20 0.51
MAPT P10636 1/20 0.51
PEPD P12955 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS1 P23219 1/20 0.51
HTR2A P28223 1/20 0.51
PTGS2 P35354 1/20 0.51
HRH1 P35367 1/20 0.51
THPO P40225 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
XIAP P98170 1/20 0.48

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
SCHEMBL5987819 0.89 XIAP (0.53) KMT2AL3MBTL1XIAP
SCHEMBL3265348 0.89 XIAP (0.53) KMT2AL3MBTL1XIAP
SCHEMBL10404192 0.88 CMA1 (0.53) KMT2AL3MBTL1ACERENKDM4E
SCHEMBL5280818 0.88 CMA1 (0.53) KMT2AL3MBTL1ACERENKDM4E
SCHEMBL10404191 0.88 CMA1 (0.53) KMT2AL3MBTL1ACERENKDM4E
SCHEMBL15821242 0.88 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL12404590 0.88 XIAP (0.49) KMT2AL3MBTL1XIAP
SCHEMBL3265303 0.88 XIAP (0.49) KMT2AL3MBTL1XIAP
SCHEMBL12567110 0.87 ACE (0.52) KMT2AACERENKDM4EF2
SCHEMBL239406 0.87 ACE (0.52) KMT2AACERENKDM4EF2

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
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed