SCHEMBL7630626

SCHEMBL7630626

COc1ccc(C(=O)OO[C](C)COC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
ELANE P08246 1/20 0.46
ESR2 Q92731 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.43
SLC2A1 P11166 1/20 0.42
MAPT P10636 3/20 0.41
GSK3B P49841 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL7636911 0.85 TDP1 (0.44) CES2CES1ALDH1A1LMNAMAPK1
SCHEMBL7627894 0.84 CA1 (0.55) CA1CA2ESR2CES2CES1
SCHEMBL7637287 0.84 ALDH1A1 (0.43) CA1CA2ALDH1A1LMNAMAPK1
SCHEMBL7623941 0.84 CA1 (0.46) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL7624126 0.83 TDP1 (0.57) ALDH1A1LMNAMAPK1HSD17B10TDP1
SCHEMBL7629431 0.81 TSHR (0.37) CA1CA2ALDH1A1LMNAMAPK1
SCHEMBL7626372 0.81 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10TDP1MAPT
SCHEMBL7637236 0.81 MEN1 (0.40) ALDH1A1LMNAMAPK1HSD17B10TDP1
SCHEMBL7625631 0.80 PLK1 (0.42) ESR2ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL7625811 0.80 CA1 (0.56) CA1CA2ESR2CES2CES1

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