SCHEMBL810036

SCHEMBL810036

OCCC1CCCCN2CCCN=C12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.35
NOS2 P35228 4/20 0.35
NOS3 P29474 2/20 0.35
INMT O95050 2/20 0.34
USP2 O75604 2/20 0.34
SLC29A1 Q99808 5/20 0.31
MEN1 O00255 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
PDE2A O00408 1/20 0.30
RGS12 O14924 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCC5 O15440 1/20 0.30
PDE6D O43924 1/20 0.30
PDE8A O60658 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
SCHEMBL809760 0.92 USP2 (0.32) INMTUSP2
SCHEMBL15437769 0.79 NOS1 (0.53) NOS1NOS2NOS3INMTUSP2
SCHEMBL809794 0.78 CHRNB2 (0.40) NOS1NOS2NOS3INMTUSP2
SCHEMBL8147596 0.78 CHRNB2 (0.40) NOS1NOS2NOS3INMTUSP2
SCHEMBL809756 0.78 CHRNB2 (0.40) NOS1NOS2NOS3INMTUSP2
SCHEMBL17215357 0.78 CHRNB2 (0.40) NOS1NOS2NOS3INMTUSP2
SCHEMBL16591593 0.77 NOS3 (0.37) NOS1NOS2NOS3INMTUSP2
SCHEMBL809570 0.76 NOS1 (0.36) NOS1NOS2NOS3INMTUSP2
SCHEMBL809736 0.74 SLC29A1 (0.36) INMTUSP2SLC29A1MEN1CYP3A4
SCHEMBL17328037 0.73 NOS3 (0.36) NOS1NOS2NOS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098567-B1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF DENKI KAGAKU KOGYO KK (JP) 2011-11-16 EP disclosed
US-8012556-B2 Acrylic rubber composition and its vulcanized product DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-09-06 US disclosed
US-7704939-B2 Surfactant SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-27 US disclosed
US-20100009105-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZED PRODUCT DENKI KAGAKU KIGYO KABUSHIKI KAISHA (JP) 2010-01-14 US disclosed
EP-2098567-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2009-09-09 EP disclosed
US-20070167343-A1 neutralized salt including alkylbenzenesulphonates (toluenesulfonic acid guanidine salt, toluenesulfonic acid DBU salt, toluenesulfonic acid DBN salt) for cleaning electonics SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-19 US disclosed