SCHEMBL10399387

SCHEMBL10399387

CC(CCCl)CCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
HRH2 P25021 12/20 0.48
HRH1 P35367 12/20 0.48
MMP2 P08253 4/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MMP3 P08254 4/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 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
SCHEMBL10594224 1.00 HRH3 (0.48) HRH3HRH2HRH1MMP2ALDH1A1
SCHEMBL10526681 0.91 HRH3 (0.48) HRH3HRH2HRH1MMP2ALDH1A1
SCHEMBL10593306 0.91 HRH3 (0.48) HRH3HRH2HRH1MMP2ALDH1A1
SCHEMBL10399304 0.87 ALDH1A1 (0.52) HRH3HRH2HRH1MMP2ALDH1A1
SCHEMBL16437760 0.85 HRH3 (0.50) HRH3HRH2HRH1MMP2ALDH1A1
SCHEMBL21156855 0.83 MMP2 (0.54) HRH3HRH2HRH1MMP2ALDH1A1
SCHEMBL5624212 0.83 MMP2 (0.60) HRH3HRH2HRH1MMP2MMP3
SCHEMBL10399305 0.82 HRH3 (0.45) HRH3HRH2HRH1MMP2ALDH1A1
SCHEMBL10399310 0.82 ALDH1A1 (0.56) HRH3HRH2HRH1MMP2ALDH1A1
SCHEMBL6709103 0.81 MMP3 (0.59) HRH3HRH2HRH1MMP2ALDH1A1

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
US-4956488-A Optically active cyanobiphenyl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1990-09-11 US claimed
US-4844836-A LIQUID CRYSTALS ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1989-07-04 US claimed
JP-63255257-A None JP disclosed
US-4956488-A Optically active cyanobiphenyl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1990-09-11 US disclosed
US-4844836-A LIQUID CRYSTALS ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1989-07-04 US disclosed
JP-S63255257-A OPTICALLY ACTIVE CYANOBIPHENYL COMPOUND ADEKA ARGUS CHEM CO LTD 1988-10-21 JP disclosed