SCHEMBL7625337

SCHEMBL7625337

COC[C](C)OOC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
TPMT P51580 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
NR1I2 O75469 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7625641 0.84 NPC1 (0.46) TDP1MEN1KMT2ANPC1RAB9A
SCHEMBL7632802 0.83 TDP1 (0.53) TDP1MEN1KMT2ACYP1A2NPC1
SCHEMBL7632831 0.82 TPMT (0.42) SLC7A5TPMTTDP1CNR2MEN1
SCHEMBL7627552 0.81 SMN1; SMN2 (0.36) TDP1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL7633801 0.81 KDM4E (0.41) MEN1KMT2AL3MBTL1ATMKDM4E
SCHEMBL11520841 0.81 TPMT (0.56) SLC7A5TPMTTDP1CNR2MEN1
SCHEMBL7630210 0.79 SMN1; SMN2 (0.48) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL7634515 0.79 MAPT (0.47) KMT2AL3MBTL1NPC1RAB9ATAS1R3
SCHEMBL7625660 0.77 TPMT (0.48) SLC7A5TPMTTDP1CNR2MEN1
SCHEMBL7623961 0.77 LMNA (0.61) TDP1KMT2AL3MBTL1KDM4ENPC1

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