SCHEMBL13201403

SCHEMBL13201403

C=CCC(C)(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
DGAT1 O75907 1/20 0.41
CA2 P00918 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CTSK P43235 3/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPRB P23467 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
APLNR P35414 1/20 0.32

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
SCHEMBL7398035 1.00 MAPT (0.46) MAPTDGAT1CA2CA12CA14
SCHEMBL17866134 0.86 MAPT (0.40) MAPTCA2CA12CA14TDP1
SCHEMBL8861814 0.86 MAPT (0.40) MAPTCA2CA12CA14TDP1
SCHEMBL1433275 0.86 MAPT (0.40) MAPTCA2CA12CA14TDP1
SCHEMBL12360947 0.84 DGAT1 (0.42) MAPTDGAT1CA2CA12CA14
SCHEMBL7395134 0.84 DGAT1 (0.42) MAPTDGAT1CA2CA12CA14
SCHEMBL13201422 0.81 MAPT (0.43) MAPTDGAT1CA2CA12CA14
SCHEMBL30805062 0.80 MAPT (0.40) MAPTDGAT1CA2CA12CA14
SCHEMBL23797446 0.80 MAPT (0.42) MAPTDGAT1CA2CA12CA14
SCHEMBL31730467 0.80 MAPT (0.42) MAPTDGAT1CA2CA12CA14

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-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US disclosed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US disclosed