SCHEMBL6985101

SCHEMBL6985101

COc1ccc(CN(CC(=O)Oc2cccs2)C(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 3/20 0.41
ALDH1A1 P00352 7/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 3/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL31564004 0.83 ALDH1A1 (0.46) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL192119 0.77 ALDH1A1 (0.45) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL14680120 0.73 ALDH1A1 (0.45) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL6984125 0.73 POLB (0.56) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL4838520 0.73 KMT2A (0.49) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL15624358 0.73 KMT2A (0.55) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL12282460 0.72 MEN1 (0.43) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL21264038 0.72 ALDH1A1 (0.40) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL12282151 0.72 ALDH1A1 (0.43) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL30479647 0.72 ALDH1A1 (0.42) MEN1KMT2APOLBALDH1A1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed