SCHEMBL7012344

SCHEMBL7012344

COC(=O)COc1c(C)cn2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
KDM4E B2RXH2 12/20 0.40
ALDH1A1 P00352 7/20 0.40
GAA P10253 5/20 0.40
HPGD P15428 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL27735043 0.77 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL2768547 0.77 EGFR (0.47) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL321823 0.75 KDM4E (0.40) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL3608903 0.74 MEN1 (0.43) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL10428803 0.72 KMT2A (0.57) MMP1MMP9MMP8ALDH1A1GAA
SCHEMBL6246249 0.71 GAA (0.38) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL7012342 0.71 LMNA (0.46) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL30594131 0.70 MMP1 (0.49) MMP1MMP9MMP8KDM4EALDH1A1
SCHEMBL21883673 0.70 MMP1 (0.49) MMP1MMP9MMP8KDM4EALDH1A1
SCHEMBL2904007 0.67 NOTUM (0.61) ALDH1A1KMT2AMEN1CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed