SCHEMBL7630604

SCHEMBL7630604

Cc1ccc(C(=O)OO[C]2CCC(C)C(C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 7/20 0.35
LMNA P02545 2/20 0.35
MET P08581 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 2/20 0.34
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7625026 0.87 LMNA (0.46) TDP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL7627675 0.86 CA1 (0.45) ALDH1A1MAPTKMT2ALMNACES2
SCHEMBL7630153 0.86 MEN1 (0.40) TDP1ALDH1A1MAPTPOLBKMT2A
SCHEMBL7625445 0.85 POLB (0.42) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL7629605 0.85 MAPT (0.40) TDP1ALDH1A1MAPTTP53KMT2A
SCHEMBL7625546 0.85 SCN1A (0.44) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL7635368 0.85
SCHEMBL7630042 0.84 NPC1 (0.36) MAPTPOLBKMT2ARAB9AMEN1
SCHEMBL7629177 0.84 SMN1; SMN2 (0.41) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL7634538 0.84 TDP1 (0.44) TDP1SCN1ASCN2ASCN3AALDH1A1

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