SCHEMBL7633609

SCHEMBL7633609

[CH2]CCCCCCCCCCCCCOOC(=O)c1ccc(OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
PARP10 Q53GL7 1/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.44
PLA2G4B P0C869 1/20 0.44
PLK1 P53350 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RARB P10826 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
SCHEMBL7631297 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTLMNASCN1A
SCHEMBL7629384 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTLMNASCN1A
SCHEMBL7629375 0.99 ALDH1A1 (0.50) ALDH1A1NPC1MAPTLMNASCN1A
SCHEMBL7627382 0.94 ALDH1A1 (0.51) ALDH1A1NPC1MAPTLMNASCN1A
SCHEMBL7629457 0.92 TP53 (0.56) NPC1MAPTLMNAGAATP53
SCHEMBL7630314 0.92 TP53 (0.56) NPC1MAPTLMNAGAATP53
SCHEMBL7628065 0.92 TP53 (0.56) NPC1MAPTLMNAGAATP53
SCHEMBL7626096 0.90 L3MBTL1 (0.51) NPC1MAPTLMNAGAATP53
SCHEMBL7635193 0.90 TP53 (0.58) NPC1MAPTLMNAGAATP53
SCHEMBL7635400 0.90 TP53 (0.58) NPC1MAPTLMNAGAATP53

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