SCHEMBL7633233

SCHEMBL7633233

CCCCCC[C](C)OOC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
F2R P25116 1/20 0.43

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
SCHEMBL7636618 0.88 POLB (0.52) CES2CES1MAPTPOLBHDAC1
SCHEMBL7625349 0.88 CES2 (0.55) CES2CES1MAPTTDP1
SCHEMBL7630515 0.84 HDAC3 (0.43) CES2CES1MAPTTDP1HDAC1
SCHEMBL7625657 0.84 MAPT (0.52) MAPTTDP1F2R
SCHEMBL7627944 0.82 EPHX2 (0.51) CES2CES1MAPT
SCHEMBL7623780 0.81 SMPD1 (0.50) MAPT
SCHEMBL27748631 0.79 HDAC3 (0.59) PTPN11CES2CES1MAPTTDP1
SCHEMBL15907642 0.79 CNR2 (0.65) PTPN11MAPTTDP1CNR2
SCHEMBL7630725 0.79 MAPT (0.50) MAPTTDP1
SCHEMBL16724888 0.79 CNR2 (0.65) PTPN11MAPTTDP1CNR2

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