SCHEMBL1665838

SCHEMBL1665838

O=C(ON1CC1)c1ccccc1C(=O)ON1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5875070 0.90 NPC1 (0.44) TSHRALDH1A1NPC1HSD17B10RAB9A
SCHEMBL5874855 0.86 RXFP1 (0.47) TSHRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL8319149 0.86 TSHR (0.37) TSHRALDH1A1NPC1CYP3A4HSD17B10
SCHEMBL11420640 0.85 HPGD (0.33) TSHRALDH1A1NPC1TDP1HSD17B10
SCHEMBL11420642 0.79 ALDH1A1 (0.39) TSHRALDH1A1ALOX15L3MBTL1HSD17B10
SCHEMBL5874810 0.79 NPC1 (0.55) TSHRALDH1A1NPC1ALOX15TDP1
Morpholine Salicylate SCHEMBL24540 0.77 RAB9A (0.59) TSHRALDH1A1NPC1ALOX15TDP1
SCHEMBL4451473 0.77 POLB (0.54) ALDH1A1HPGDLMNAKMT2AHTT
SCHEMBL28702972 0.77 TSHR (0.47) TSHRALDH1A1NPC1CYP3A4ALOX15
SCHEMBL5875374 0.77 TSHR (0.47) TSHRALDH1A1NPC1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2482802-A1 NOVEL PESTICIDE FORMULATIONS Burnet, Michael (DE) 2012-08-08 EP disclosed
WO-2011040956-A1 NOVEL PESTICIDE FORMULATIONS BURNET MICHAEL (DE) 2011-04-07 WO disclosed