SCHEMBL7625660

SCHEMBL7625660

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.48
CNR2 P34972 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
NR1I2 O75469 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC7A5 Q01650 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CNR1 P21554 2/20 0.38
LMNA P02545 2/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL11520841 0.91 TPMT (0.56) TPMTCNR2MEN1KMT2ACYP1A2
SCHEMBL7625518 0.80 PARP1 (0.53) MEN1KMT2ACYP1A2CYP2C19NPC1
SCHEMBL7632831 0.80 TPMT (0.42) TPMTCNR2MEN1KMT2ACYP1A2
SCHEMBL7634241 0.80 TPMT (0.50) TPMTCNR2MEN1KMT2ACYP1A2
SCHEMBL7631551 0.78 TDP1 (0.59) MEN1KMT2ACYP1A2NPC1RAB9A
SCHEMBL7625337 0.77 SLC7A5 (0.40) TPMTCNR2MEN1KMT2ACYP1A2
SCHEMBL7628109 0.77 CYP3A4 (0.36) MEN1KMT2ATDP1LMNAKDM4E
SCHEMBL2212388 0.77 TPMT (0.56) TPMTCNR2MEN1KMT2ACYP1A2
SCHEMBL13517421 0.76 TPMT (0.42) TPMTCNR2MEN1KMT2ACYP1A2
SCHEMBL7630199 0.76 TPMT (0.42) TPMTCNR2MEN1KMT2ACYP1A2

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