SCHEMBL7627552

SCHEMBL7627552

COC[C](C)OOC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NLRP3 Q96P20 1/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 4/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CRHR1 P34998 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
GLO1 Q04760 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.32

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
SCHEMBL7632270 0.83 PTPN1 (0.38) SMN1; SMN2NLRP3LMNAL3MBTL1KDM4E
SCHEMBL7627869 0.83 TSHR (0.39) SMN1; SMN2ALDH1A1NLRP3LMNACYP3A4
SCHEMBL125935 0.82 CYP3A4 (0.41) SMN1; SMN2ALDH1A1LMNACYP3A4ACHE
SCHEMBL7625337 0.81 SLC7A5 (0.40) L3MBTL1KDM4EMEN1KMT2ATDP1
SCHEMBL7625603 0.80 TAS1R3 (0.47) SMN1; SMN2HPGDMEN1KMT2AHTT
SCHEMBL7626969 0.79 HPGD (0.33) HPGDKDM4E
SCHEMBL7628109 0.78 CYP3A4 (0.36) SMN1; SMN2ALDH1A1LMNACYP3A4ACHE
SCHEMBL7634206 0.76 MEN1 (0.45) SMN1; SMN2ALDH1A1NLRP3L3MBTL1HPGD
SCHEMBL7635070 0.75 THRB (0.39) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL7632802 0.75 TDP1 (0.53) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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