SCHEMBL7634271

SCHEMBL7634271

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 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
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL7631250 0.95 MEN1 (0.39) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7624243 0.94 HDAC3 (0.40) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7632567 0.94 HDAC3 (0.40) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7628089 0.94 HDAC3 (0.40) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7633162 0.94 HDAC3 (0.40) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7633025 0.94 HDAC3 (0.40) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7634970 0.94 HDAC3 (0.40) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7628206 0.91 MEN1 (0.41) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL7635797 0.88 KMT2A (0.41) MEN1KMT2ATSHRTDP1ESR1
SCHEMBL7631710 0.84 KMT2A (0.40) MEN1KMT2ATSHRTDP1ESR1

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