SCHEMBL3370852

SCHEMBL3370852

C=C(C)C(=O)OC(C)COc1cc(-n2nc3ccc(C)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL107634 0.85
SCHEMBL29613654 0.85 NPC1 (0.35) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL373843 0.85 NPC1 (0.35) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8397404 0.84 TDP1 (0.37) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL11668078 0.80 CA2 (0.41) ALDH1A1MAPTTDP1SMN1; SMN2NPSR1
SCHEMBL9467298 0.78 CYP1A2 (0.34) MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL345853 0.78 MAPT (0.35) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8400550 0.77 NPC1 (0.38) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL23638712 0.76 NPC1 (0.37) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL2238210 0.76 POLB (0.33) TDP1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750157-B1 CONTACT LENS MENICON CO LTD (JP) 2010-10-13 EP disclosed
US-7588334-B2 Contact lens MENICON CO., LTD. (JP) 2009-09-15 US disclosed
US-20070232755-A1 Contact Lens MENICON CO., LTD. (JP) 2007-10-04 US disclosed
EP-1750157-A1 CONTACT LENS MENICON CO., LTD. (JP) 2007-02-07 EP disclosed