SCHEMBL6581322

SCHEMBL6581322

CCCCCCOCC(=O)N(C)c1c(OCCCCCC)cccc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 2/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR1 P21554 2/20 0.40

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
SCHEMBL6582116 0.87 TSHR (0.50) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL6576760 0.85 TSHR (0.45) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL6578915 0.83 ALDH1A1 (0.43) TSHRLMNAALDH1A1CYP3A4MAPT
SCHEMBL6576578 0.79 TSHR (0.52) TSHRLMNAALDH1A1CYP3A4MAPT
SCHEMBL6579625 0.79 TSHR (0.45) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL27489932 0.79 TSHR (0.59) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL339281 0.78 LMNA (0.68) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL8982913 0.78 LMNA (0.68) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL28932519 0.77 LMNA (0.60) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL28701844 0.77 LMNA (0.60) TSHRLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed