SCHEMBL12023213

SCHEMBL12023213

CCC(=O)CCC(CO)CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SYK P43405 1/20 0.36
CTSK P43235 8/20 0.35
CTSS P25774 5/20 0.35
CAPN1 P07384 1/20 0.34
SERPINE1 P05121 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 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
SCHEMBL13109051 0.84 MEN1 (0.45) KMT2AMEN1GAATDP1SYK
SCHEMBL13109037 0.84 MEN1 (0.45) KMT2AMEN1GAATDP1SYK
SCHEMBL7518298 0.82 TDP1 (0.50) KMT2AMEN1GAATDP1SYK
SCHEMBL17860156 0.82 TDP1 (0.50) KMT2AMEN1GAATDP1SYK
SCHEMBL25324125 0.82 MEN1 (0.43) KMT2AMEN1GAATDP1SYK
SCHEMBL17788024 0.82 MEN1 (0.43) KMT2AMEN1GAATDP1SYK
SCHEMBL25921359 0.82 MEN1 (0.43) KMT2AMEN1GAATDP1SYK
SCHEMBL21361575 0.81 TDP1 (0.46) KMT2AMEN1GAATDP1SYK
SCHEMBL14653705 0.81 TDP1 (0.46) KMT2AMEN1GAATDP1SYK
SCHEMBL19371058 0.80 TDP1 (0.54) KMT2AMEN1GAATDP1SYK

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
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed