SCHEMBL809857

SCHEMBL809857

O=C(O)C1CCCCN2CCCN=C12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
INMT O95050 4/20 0.41
USP2 O75604 1/20 0.35
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
HTT P42858 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21985369 0.73 INMT (0.34) INMTUSP2HTT
SCHEMBL11983584 0.72 INMT (0.35) INMTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6859100 0.72 NOS3 (0.47) INMTUSP2ALDH1A1GAA
SCHEMBL20686772 0.71 NOS3 (0.45) INMTUSP2ALDH1A1KMT2AGAA
SCHEMBL809575 0.71 INMT (0.39) INMTUSP2
SCHEMBL1741681 0.70 INMT (0.36) INMTUSP2
SCHEMBL22929104 0.69 INMT (0.38) INMTUSP2
SCHEMBL3938135 0.68 NOS1 (0.47) INMTGAAHTT
SCHEMBL810036 0.68 NOS1 (0.35) INMTUSP2KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8307757 0.67 NOS1 (0.45) RAB9A

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-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-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