SCHEMBL8835699

SCHEMBL8835699

CCOC(=O)COc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.48
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
ACACB O00763 2/20 0.46
NAMPT P43490 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL7621920 0.89 PTPN1 (0.51) GLAKMT2AGAAHTTCA1
SCHEMBL27741033 0.87 ACACB (0.59) GLAKMT2ACA1CA2CA12
SCHEMBL4495406 0.85 CYP4F2 (0.56) GLAKMT2ACA1CA2NAMPT
SCHEMBL2187363 0.85 CA1 (0.50) GLAKMT2AHTTCA1CA2
SCHEMBL4427701 0.85 PTPN1 (0.52) GLAKMT2AGAACA1CA2
SCHEMBL748866 0.84 NPC1 (0.52) GAANPSR1CA1CA2CA12
SCHEMBL9259281 0.83 ACACB (0.65) GLAKMT2AGAANPSR1HTT
SCHEMBL19003451 0.82 ACACB (0.61) GLAKMT2ACA1CA2CA12
SCHEMBL13618081 0.81 ACACB (0.53) GLAKMT2ACA1CA2CA12
SCHEMBL1668317 0.81 EPHX2 (0.59) KMT2ANAMPT

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
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed