SCHEMBL7628461

SCHEMBL7628461

[CH2]CC[C](OOC(=O)c1cccc(C)c1)OOC(=O)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
ESR1 P03372 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
ESR2 Q92731 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7627807 0.93 PARP1 (0.44) PARP1CTNNB1WNT3ANPC1RAB9A
SCHEMBL7631928 0.90 PARP1 (0.41) PARP1CTNNB1WNT3ANPC1RAB9A
SCHEMBL7631423 0.89 HDAC8 (0.43) PARP1CTNNB1WNT3ANPC1RAB9A
SCHEMBL7633414 0.89 HDAC8 (0.43) PARP1CTNNB1WNT3ANPC1RAB9A
SCHEMBL7630747 0.89 HDAC8 (0.43) PARP1CTNNB1WNT3ANPC1RAB9A
SCHEMBL7631609 0.89 HDAC8 (0.43) PARP1CTNNB1WNT3ANPC1RAB9A
SCHEMBL7628781 0.89 HDAC8 (0.43) PARP1CTNNB1WNT3ANPC1RAB9A
SCHEMBL7630897 0.89 HDAC8 (0.43) PARP1CTNNB1WNT3ANPC1RAB9A
SCHEMBL7630307 0.88 PARP1 (0.47) PARP1NPC1RAB9ATDP1HPGD
SCHEMBL7626962 0.88 PARP1 (0.40) PARP1CTNNB1WNT3ANPC1RAB9A

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