SCHEMBL7011022

SCHEMBL7011022

CCOC(=O)c1c(OC)cn2cccc(OCc3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXRA P19793 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL8345231 0.88 KDM4E (0.45) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL9080973 0.83 KMT2A (0.41) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL13794527 0.81 MAPT (0.45) ALDH1A1GAAHPGDRXRAATM
SCHEMBL3952696 0.79 RXRA (0.49) RXRAHTTMAPTTDP1L3MBTL1
SCHEMBL7011352 0.78 FOLH1 (0.47) ALDH1A1RXRAMAPTTDP1L3MBTL1
SCHEMBL7014263 0.75 PLA2G1B (0.39) KDM4EALDH1A1GAARXRAMAPT
SCHEMBL11070583 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1572818 0.73 MAPK1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2582045 0.73 RXRA (0.54) KDM4EKMT2ARXRAGABRPGABRD
SCHEMBL8323146 0.72 CA12 (0.64) KDM4EGAAKMT2ASMN1; SMN2NPC1

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