SCHEMBL12565985

SCHEMBL12565985

CC1(COCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)CO1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.51
HRH2 P25021 14/20 0.51
HRH1 P35367 14/20 0.51
MMP3 P08254 2/20 0.46
MMP2 P08253 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL12769805 0.86 MMP2 (0.46) HRH3HRH2HRH1MMP3MMP2
SCHEMBL9242165 0.85 HRH3 (0.49) HRH3HRH2HRH1MMP3HDAC1
SCHEMBL12565989 0.84 MAPT (0.50) HRH3HRH2HRH1MMP3MMP2
SCHEMBL2719323 0.83 RARB (0.40) HRH3
SCHEMBL6621375 0.81 ALDH1A1 (0.45) HRH3HRH2HRH1MMP3MMP2
SCHEMBL6621380 0.81 ALDH1A1 (0.45) HRH3HRH2HRH1MMP3MMP2
SCHEMBL14099209 0.81 HRH3 (0.48) HRH3HRH2HRH1MMP3HDAC1
SCHEMBL12566001 0.80 PRKCG (0.42)
SCHEMBL28376267 0.78 LSS (0.45) HRH3HRH1MMP3
SCHEMBL26602050 0.78 MMP3 (0.66) HRH3HRH2HRH1MMP3MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8366962-B2 Polymerizable liquid crystal compounds having oxiranyl group, polymerizable liquid crystal compositions and polymers JNC CORPORATION (JP) 2013-02-05 US disclosed
US-20110147656-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS HAVING OXIRANYL GROUP, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS AND POLYMERS CHISSO CORPORATION (JP) 2011-06-23 US disclosed