SCHEMBL7629784

SCHEMBL7629784

[CH2]OOC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.36
ACHE P22303 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GLO1 Q04760 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL125935 0.87 CYP3A4 (0.41) ALDH1A1CYP3A4ACHETAS1R3TAS1R1
SCHEMBL2809402 0.83 CYP3A4 (0.38) ALDH1A1CYP3A4ACHETAS1R3TAS1R1
SCHEMBL7634222 0.82 KDM4E (0.37) ALDH1A1CYP3A4ACHETAS1R3TAS1R1
SCHEMBL7628109 0.79 CYP3A4 (0.36) ALDH1A1CYP3A4ACHETAS1R3TAS1R1
SCHEMBL7625634 0.79 CA12 (0.38) ALDH1A1TAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL7624983 0.79 L3MBTL1 (0.36) ALDH1A1CYP3A4ACHETAS1R3TAS1R1
SCHEMBL7634241 0.78 TPMT (0.50) CYP2C19HPGDMEN1KMT2ATDP1
SCHEMBL248738 0.78 CYP3A4 (0.41) ALDH1A1CYP3A4ACHETAS1R3TAS1R1
SCHEMBL7630320 0.77 L3MBTL1 (0.36) ALDH1A1CYP3A4ACHETAS1R3TAS1R1
SCHEMBL7625958 0.76 L3MBTL1 (0.35) ALDH1A1CYP3A4ACHETAS1R3TAS1R1

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