SCHEMBL8677487

SCHEMBL8677487

CN(C)c1cccc(C(=O)OCCOC(=O)c2cccc(N(C)C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.58
KDM4E B2RXH2 5/20 0.58
MAPT P10636 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 4/20 0.52
POLB P06746 1/20 0.52
NR4A1 P22736 1/20 0.52
MCL1 Q07820 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL11793288 0.92 LMNA (0.60) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL3309401 0.90 L3MBTL1 (0.57) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL9663282 0.89 L3MBTL1 (0.54) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL3236449 0.88 MAPT (0.65) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL32685467 0.88 MAPT (0.65) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL25404636 0.88 KDM4E (0.51) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL11215982 0.87 LMNA (0.48) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL9854041 0.84 KMT2A (0.51) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL31307550 0.84 KMT2A (0.51) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL641703 0.82 KDM4E (0.58) LMNAKDM4EMAPTALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707559-A PROVIDING A STABLE 1,2-DIOXETANE WHICH FORMS INTERMEDIATE UNSTABLE COMPOUNDS WHEN TRIGGERED TO REMOVE BLOCKING GROUPS BY ACTIVATING AGENT SO THAT UNSTABLE COMPOUND DECOMPOSES TO FORM LIGHT AND TWO CARBONYL COMPOUNDS TROPIX, INC. (US) 1998-01-13 US disclosed
EP-0595369-B1 Alkene compounds TROPIX INC (US) 1996-12-04 EP disclosed
US-5386017-A Can be converted to stable aryl substituted 1,2-dioxetanes which decompose when activated to produce light and carbonyl compounds BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1995-01-31 US disclosed
EP-0254051-B1 Chemiluminescent 1,2-dioxetane compounds UNIV WAYNE STATE (US) 1994-08-31 EP disclosed
EP-0595369-A1 Alkene compounds TROPIX, INC. (US) 1994-05-04 EP disclosed
US-4962192-A Chemiluminescent 1,2-dioxetane compounds BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1990-10-09 US disclosed
US-4857652-A Chemiluminescent 1,2-dioxetane compounds BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1989-08-15 US disclosed
EP-0254051-A2 Chemiluminescent 1,2-dioxetane compounds THE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1988-01-27 EP disclosed