SCHEMBL3658975

SCHEMBL3658975

CC1C(OS(C)(=O)=O)CCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.35
FAP Q12884 3/20 0.35
PREP P48147 2/20 0.35
RAB9A P51151 1/20 0.34
HCRTR2 O43614 10/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DPP7 Q9UHL4 2/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL27716149 1.00 DPP4 (0.35) DPP4FAPPREPRAB9AHCRTR2
SCHEMBL3150565 0.81 HSD17B10 (0.46) HCRTR2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2685303 0.81 HSD17B10 (0.46) HCRTR2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL18007258 0.80 HSD17B10 (0.36) DPP4FAPPREPRAB9AHCRTR2
SCHEMBL2586890 0.80 HSD17B10 (0.36) DPP4FAPPREPRAB9AHCRTR2
SCHEMBL25308238 0.80 TSHR (0.31)
SCHEMBL461662 0.78 DPP4 (0.35) DPP4FAPPREPRAB9AHCRTR2
SCHEMBL18173562 0.76 RAB9A (0.35) DPP4FAPPREPRAB9AHCRTR2
SCHEMBL1906745 0.73 GAA (0.33) DPP4FAPPREPRAB9AHCRTR2
SCHEMBL15690708 0.72 TP53 (0.30)

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-2205559-A1 RENIN INHIBITORS Cadila Healthcare Limited (IN) 2010-07-14 EP disclosed
WO-2009087649-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2009-07-16 WO disclosed