SCHEMBL7631376

SCHEMBL7631376

CCCCCCOc1ccc(C(=O)OO[C](C)CCCCCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 5/20 0.58
RARB P10826 3/20 0.56
THRA P10827 3/20 0.54
THRB P10828 3/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.54
PLA2G4A P47712 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7627678 0.99 TP53 (0.57) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7632887 0.96 L3MBTL1 (0.55) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7633506 0.92 NPC1 (0.51) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7636886 0.90 TP53 (0.61) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7631122 0.87 CA1 (0.47) TP53TSHRNPC1LMNA
SCHEMBL7633918 0.87 TP53 (0.65) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7635657 0.86 TP53 (0.57) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7633424 0.85 TSHR (0.54) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL11200744 0.85 TSHR (0.64) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL7628403 0.84 HSD17B3 (0.44) RARBTHRATHRBNPC1

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