SCHEMBL7630962

SCHEMBL7630962

Cc1cccc(C)c1C(=O)OOC(=O)OCC(C)(COC(=O)OOC(=O)c1c(C)cccc1C)COC(=O)OOC(=O)c1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.33
SSTR4 P31391 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TSHR P16473 2/20 0.33
NLRP3 Q96P20 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL7631096 0.89 MAPK1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7635709 0.85 MAPK1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL7634073 0.84 ELANE (0.38) ELANECYP1A2NLRP3L3MBTL1TDP1
SCHEMBL7625871 0.84 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL7627563 0.84 MEN1 (0.44) CYP1A2ADRB2ADRB1ADRB3TSHR
SCHEMBL7625512 0.83 ADRB2 (0.46) ADRB2ADRB1ADRB3TSHRL3MBTL1
SCHEMBL7630853 0.82 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7632278 0.80 KMT2A (0.31) HSD17B10LMNA
SCHEMBL1044586 0.79 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7630860 0.78 ADRB2 (0.48) ADRB2ADRB1ADRB3TSHRL3MBTL1

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