SCHEMBL7009138

SCHEMBL7009138

CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
KDM2B Q8NHM5 2/20 0.41
PTGER1 P34995 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CYP19A1 P11511 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL7013513 0.99 SGMS2 (0.43) ALDH1A1MEN1KMT2ASGMS2KDM2B
SCHEMBL7011107 0.99 SGMS2 (0.43) ALDH1A1MEN1KMT2ASGMS2KDM2B
SCHEMBL7014335 0.90 MEN1 (0.43) ALDH1A1MEN1KMT2ASGMS2KDM2B
SCHEMBL7017573 0.86 MEN1 (0.42) ALDH1A1MEN1KMT2ASGMS2KDM2B
SCHEMBL7014844 0.81 ATM (0.48) ALDH1A1MEN1KMT2APTGER1ATP4A
SCHEMBL7013814 0.81 ATP4A (0.42) ALDH1A1MEN1KMT2APTGER1PSEN1
SCHEMBL7011801 0.80 PLA2G1B (0.45) ALDH1A1MEN1KMT2ASGMS2PSEN1
SCHEMBL7006126 0.79 PLA2G1B (0.46) ALDH1A1MEN1KMT2ASGMS2PSEN1
SCHEMBL7006657 0.77 PLA2G1B (0.39) ALDH1A1PTGER1PSEN1PSEN2APH1B
SCHEMBL7016240 0.77 ATM (0.44) PTGER1PSEN1PSEN2APH1BNCSTN

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