SCHEMBL7633979

SCHEMBL7633979

[CH2]COC[C](OOC(=O)c1ccccc1C)OOC(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
NPC1 O15118 6/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 4/20 0.39
TSHR P16473 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PLK1 P53350 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
SCHEMBL7633679 0.93 MEN1 (0.40) MEN1KMT2ANPC1TDP1RAB9A
SCHEMBL7634801 0.88 KMT2A (0.44) MEN1KMT2ANPC1TDP1RAB9A
SCHEMBL7626123 0.84 KMT2A (0.43) MEN1KMT2ANPC1TDP1RAB9A
SCHEMBL7633499 0.83 CA12 (0.34) MEN1KMT2ANPC1TDP1RAB9A
SCHEMBL7627538 0.82 CTSD (0.45) KMT2ANPC1RAB9ATSHRSMN1; SMN2
SCHEMBL7631094 0.82 MEN1 (0.43) MEN1KMT2ANPC1TDP1TSHR
SCHEMBL7628206 0.81 MEN1 (0.41) MEN1KMT2ANPC1TDP1RAB9A
SCHEMBL7632115 0.80 HCRTR1 (0.47) MEN1KMT2ATSHRSMN1; SMN2ESR1
SCHEMBL127127 0.80 NPC1 (0.53) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7635830 0.79 SCN1A (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed