SCHEMBL7625958

SCHEMBL7625958

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CRHR1 P34998 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
ACHE P22303 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
SCHEMBL7635572 0.90 ALDH1A1 (0.33) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7632319 0.89 ALDH1A1 (0.33) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7634305 0.87 ESR1 (0.33) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7636601 0.87 ESR1 (0.33) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7623498 0.87 ESR1 (0.33) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7624983 0.86 L3MBTL1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7625179 0.83 CA12 (0.37) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7630888 0.81 TPMT (0.41) L3MBTL1MEN1KMT2ATDP1TAS1R3
SCHEMBL125935 0.79 CYP3A4 (0.41) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7633662 0.79 KMT2A (0.43) SMN1; SMN2MEN1KMT2AMAPTTAS1R3

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