SCHEMBL7008271

SCHEMBL7008271

Cc1cc2c(OCc3ccccc3)cccn2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK14 Q16539 2/20 0.48
ATP4A P20648 3/20 0.45
ATP4B P51164 3/20 0.45
BRD4 O60885 4/20 0.44
LIPE Q05469 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7012495 0.84 MAPK1 (0.45) MAPK1MAPTTDP1L3MBTL1MAPK14
SCHEMBL6535132 0.83 ABCB1 (0.48) MAPK1MAPTTDP1L3MBTL1ATP4A
SCHEMBL7013077 0.79 MAPT (0.52) MAPK1MAPTTDP1L3MBTL1MAPK14
SCHEMBL7011291 0.78 HTR1A (0.43) MAPK1MAPTTDP1L3MBTL1MAPK14
SCHEMBL7012342 0.73 LMNA (0.46) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL16632582 0.73 ALDH1A1 (0.42) MAPK1MAPTL3MBTL1MEN1KMT2A
SCHEMBL2189993 0.72 ATP4A (0.60) MAPK1MAPTTDP1L3MBTL1ATP4A
SCHEMBL1931637 0.72 MAPK1 (0.44) MAPK1MAPTTDP1L3MBTL1MAPK14
SCHEMBL11185970 0.71 ATP4A (0.51) MAPK1MAPTTDP1L3MBTL1MAPK14
SCHEMBL11177746 0.71 ATP4A (0.54) MAPK1MAPTTDP1L3MBTL1MAPK14

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