SCHEMBL7629352

SCHEMBL7629352

[CH2]OOC(=O)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
PLK1 P53350 1/20 0.43
PLK2 Q9NYY3 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGD P15428 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ERCC5 P28715 1/20 0.42

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
SCHEMBL127127 0.87 NPC1 (0.53) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL6886097 0.83 NPC1 (0.50) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7633538 0.82 NPC1 (0.46) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL5510171 0.82 TSHR (0.50) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7628642 0.80 NPC1 (0.47) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL13355960 0.80 NPC1 (0.47) NPC1RAB9AMEN1KMT2AESR1
Toluic Acid SCHEMBL2528475 0.80 ALDH1A1 (0.52) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7632492 0.79 KMT2A (0.44) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL29436920 0.79 NPC1 (0.53) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL777261 0.79 NPC1 (0.53) NPC1RAB9AMEN1KMT2AESR1

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