SCHEMBL7014335

SCHEMBL7014335

Cc1cc2c(OCc3ccccc3)cccn2c1C(=O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
PTGER1 P34995 2/20 0.41
KDM2B Q8NHM5 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CYP19A1 P11511 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 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
SCHEMBL7009138 0.90 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ASGMS2PSEN1
SCHEMBL7013513 0.89 SGMS2 (0.43) MEN1ALDH1A1KMT2ASGMS2PSEN1
SCHEMBL7011107 0.89 SGMS2 (0.43) MEN1ALDH1A1KMT2ASGMS2PSEN1
SCHEMBL7017573 0.87 MEN1 (0.42) MEN1ALDH1A1KMT2ASGMS2PSEN1
SCHEMBL7146437 0.85 PTGER1 (0.42) MEN1ALDH1A1KMT2ASGMS2PSEN1
SCHEMBL7010603 0.74 MRGPRX4 (0.42) MEN1ALDH1A1KMT2ASGMS2PTGER1
SCHEMBL7014844 0.73 ATM (0.48) MEN1ALDH1A1KMT2AATP4AATP4B
SCHEMBL7013814 0.73 ATP4A (0.42) MEN1ALDH1A1KMT2APSEN1PSEN2
SCHEMBL7014331 0.73 ATP4A (0.49) MEN1KMT2AATP4AATP4BRXRA
SCHEMBL7011801 0.72 PLA2G1B (0.45) MEN1ALDH1A1KMT2ASGMS2PSEN1

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 4 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