SCHEMBL7011741

SCHEMBL7011741

COC(=O)COc1cccn2cc(C(C)(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PLA2G1B P04054 2/20 0.39
KDM4E B2RXH2 4/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
AR P10275 1/20 0.36
NPC1 O15118 1/20 0.36
CYP2C19 P33261 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL7012342 0.83 LMNA (0.46) LMNAPLA2G1BKDM4EPOLBMAPT
SCHEMBL7006564 0.81 LMNA (0.43) LMNAPLA2G1BKDM4EPOLBMAPT
SCHEMBL7013866 0.80 LMNA (0.43) LMNAPLA2G1BKDM4EPOLBMAPT
SCHEMBL7009318 0.78 PTGDR (0.42) LMNAPLA2G1BKDM4EPOLBMAPT
SCHEMBL7013826 0.76 PTGDR2 (0.48) LMNAPLA2G1BKDM4EALDH1A1PLA2G2A
SCHEMBL13757708 0.71 CYP2C19 (0.54) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL10154342 0.69 NPSR1 (0.59) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL10506317 0.69 SMN1; SMN2 (0.60) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL7844241 0.69 CYP2C19 (0.51) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL20669301 0.69 PTGDR2 (0.51) LMNAKDM4EMAPTALDH1A1MEN1

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