SCHEMBL3693072

SCHEMBL3693072

O=C(O)/C(Cc1ccc(CN2CCCCCC2)cc1)=C(/Cc1ccc(CN2CCCCCC2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.62
HRH4 Q9H3N8 1/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL9943874 0.86 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4EHDAC1
SCHEMBL3708449 0.84 HRH3 (0.63) HRH3HRH4ALDH1A1KDM4EHDAC1
Hydrochloric Acid SCHEMBL3715506 0.82 HRH3 (0.61) HRH3HRH4ALDH1A1KDM4EHDAC1
SCHEMBL4277270 0.79 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL2741682 0.79 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4EHDAC1
SCHEMBL27854081 0.79 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4EHDAC1
SCHEMBL2986364 0.79 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4EHDAC1
SCHEMBL6223200 0.79 HRH3 (0.61) HRH3HRH4ALDH1A1KDM4EHDAC1
Hydrochloric Acid SCHEMBL7654075 0.77 HRH3 (0.64) HRH3HRH4ALDH1A1KDM4EHDAC1
Hydrochloric Acid SCHEMBL228646 0.77 HRH3 (0.64) HRH3HRH4ALDH1A1KDM4EHDAC1

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
US-8987362-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents BRIDGESTONE CORP (JP) 2015-03-24 US disclosed
US-20140100339-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS JSR CORPORATION (JP) 2014-04-10 US disclosed
US-8362126-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI (JP) 2013-01-29 US disclosed
US-20100099826-A1 FUNTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS OZAWA YOICHI 2010-04-22 US disclosed