SCHEMBL809801

SCHEMBL809801

OC(c1ccccc1)C1CCN2CCCN=C12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HIF1A Q16665 1/20 0.34
KCNQ2 O43526 1/20 0.33
BCHE P06276 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL6860623 0.69 HSD11B1 (0.43) TSHR
SCHEMBL809744 0.69 CTSL (0.40) CARM1PRMT6
SCHEMBL10621170 0.65 HTR2A (0.56) STAT3KDM4ECYP1A2CYP2D6CYP3A4
SCHEMBL6853571 0.65 HSD11B1 (0.43) TSHR
SCHEMBL6860467 0.64 NOS3 (0.43)
SCHEMBL29661931 0.64 CA1 (0.56) KDM4ECYP1A2CYP2D6CYP3A4TSHR
SCHEMBL809866 0.64 NOS3 (0.30)
SCHEMBL9460882 0.63 EPHX1 (0.38) KDM4ECYP1A2CYP2D6CYP3A4TSHR
SCHEMBL9460799 0.63 EPHX1 (0.38) KDM4ECYP1A2CYP2D6CYP3A4TSHR
SCHEMBL9460794 0.63 EPHX1 (0.38) KDM4ECYP1A2CYP2D6CYP3A4TSHR

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