SCHEMBL8129259

SCHEMBL8129259

CCCCC(C=O)OC(=O)[C@@H](N)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.44
DPP8 Q6V1X1 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
SLC15A1 P46059 1/20 0.40
ABCB1 P08183 1/20 0.39
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
CTSH P09668 2/20 0.35
SPHK1 Q9NYA1 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34

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
SCHEMBL8127763 0.90 CTSK (0.36) CTSKDPP8DPP7DPP4DPP9
SCHEMBL8121587 0.87 CTSK (0.40) CTSKDPP8DPP7DPP4DPP9
SCHEMBL8127680 0.82 SLC7A5 (0.37) CTSKDPP4
SCHEMBL28506993 0.79 CTSK (0.42) CTSKSLC15A1TSHRSMN1; SMN2CA1
SCHEMBL8130196 0.79 SLC7A5 (0.37) DPP4TSHR
SCHEMBL24786197 0.78 DPP7 (0.43) CTSKDPP8DPP7DPP4DPP9
SCHEMBL8129257 0.78 DPP7 (0.43) CTSKDPP8DPP7DPP4DPP9
SCHEMBL19447199 0.78 CTSK (0.42) CTSKSLC15A1ABCB1TSHRSMN1; SMN2
SCHEMBL27193080 0.78 DPP7 (0.43) CTSKDPP8DPP7DPP4DPP9
SCHEMBL6384307 0.77 CTSK (0.44) CTSKTSHRSMN1; SMN2CA1CA2

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-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed