SCHEMBL7625641

SCHEMBL7625641

COC[C](C)OOC(=O)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PARP1 P09874 1/20 0.45
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
GPR17 Q13304 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL7630178 0.84 HPGD (0.49) NPC1RAB9APARP1TDP1GPR17
SCHEMBL7632261 0.84 ADRB2 (0.44) NPC1RAB9APARP1TDP1HPGD
SCHEMBL7625337 0.84 SLC7A5 (0.40) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL7628459 0.84 CES2 (0.54) NPC1RAB9APARP1POLBMEN1
SCHEMBL29397067 0.83 PARP1 (0.61) NPC1RAB9APARP1TDP1HPGD
SCHEMBL44313 0.83 PARP1 (0.61) NPC1RAB9APARP1TDP1HPGD
SCHEMBL7630725 0.82 MAPT (0.50) TDP1HDAC8GAA
SCHEMBL7623961 0.82 LMNA (0.61) NPC1RAB9ATDP1HPGDKMT2A
SCHEMBL7632802 0.81 TDP1 (0.53) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL7625518 0.80 PARP1 (0.53) NPC1RAB9APARP1TDP1HPGD

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