SCHEMBL3283312

SCHEMBL3283312

CCCCCCOC(=N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TP53 P04637 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CNR2 P34972 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARG P37231 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 1/20 0.44

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
SCHEMBL29130134 0.98 TSHR (0.51) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL3287503 0.93 TSHR (0.50) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL3286254 0.85 LMNA (0.60) TSHRLMNAALDH1A1TDP1POLB
SCHEMBL28996714 0.81 TSHR (0.56) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL6753648 0.81 TSHR (0.61) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL27634792 0.81 TSHR (0.41) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL14748044 0.79 TDP1 (0.47) LMNAALDH1A1MAPK1TDP1POLB
SCHEMBL246510 0.79 TDP1 (0.79) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL4337578 0.79 TDP1 (0.79) TSHRLMNAALDH1A1TP53CYP3A4
Nonyl Benzoate SCHEMBL634555 0.79 TDP1 (0.79) TSHRLMNAALDH1A1TP53CYP3A4

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
EP-1840118-B1 METHOD FOR PRODUCING IMIDE ETHER COMPOUND NIPPOH CHEMICALS (JP) 2016-04-20 EP disclosed
US-7705175-B2 Method for producing imide ether compound NIPPOH CHEMICALS CO., LTD. (JP) 2010-04-27 US disclosed
US-20090005599-A1 Method for Producing Imide Ether Compound NIPPOH CHEMICALS CO., LTD. (JP) 2009-01-01 US disclosed
EP-1840118-A1 METHOD FOR PRODUCING IMIDE ETHER COMPOUND Nippoh Chemicals Co., Ltd (JP) 2007-10-03 EP disclosed