SCHEMBL7630256

SCHEMBL7630256

COc1ccccc1C(=O)OOC(=O)OCC(C)(COC(=O)OOC(=O)c1ccccc1OC)COC(=O)OOC(=O)c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CTSD P07339 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 4/20 0.43
ATM Q13315 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
XBP1 P17861 1/20 0.42
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL7626184 0.90 NPC1 (0.49) NPC1RAB9AMAPTNPSR1CTSD
SCHEMBL7632324 0.88 KMT2A (0.51) NPC1RAB9AALDH1A1KMT2AHTT
SCHEMBL7632033 0.87 NPC1 (0.50) NPC1RAB9AMAPTNPSR1CTSD
SCHEMBL2612520 0.86 ALDH1A1 (0.54) NPC1RAB9AMAPTNPSR1CTSD
SCHEMBL7628244 0.86 HCRTR1 (0.47) MAPTNPSR1ALDH1A1KMT2AHTT
SCHEMBL7630853 0.84 CA12 (0.45) NPSR1ALDH1A1KMT2AL3MBTL1GAA
SCHEMBL7624304 0.84 NPC1 (0.47) NPC1RAB9AMAPTNPSR1CTSD
SCHEMBL7625512 0.82 ADRB2 (0.46) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL7627642 0.82 KMT2A (0.52) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL7629075 0.82 MEN1 (0.49) RAB9AMAPTNPSR1ALDH1A1KMT2A

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