SCHEMBL13019602

SCHEMBL13019602

[2H]PC(=O)OC(C(=O)c1ccccc1)c1cc(OC)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 4/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.38
PAX8 Q06710 1/20 0.37

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
SCHEMBL2779580 0.85 NPC1 (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2779581 0.85 MEN1 (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13080506 0.83 ALDH1A1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL21823198 0.82 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13669477 0.82 NPC1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL22761512 0.81 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL22157293 0.78 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL22882581 0.78 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL24235206 0.78 NPC1 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3646832 0.77 NPC1 (0.50) MEN1KMT2ANPC1RAB9AMAPT

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
US-20100330496-A1 SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING-REPRODUCTION METHOD, AND SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING MATERIAL FOR USE THEREIN FUJIFILM CORPORATION (JP) 2010-12-30 US disclosed