SCHEMBL9852404

SCHEMBL9852404

[CH2]CCCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.57
MMP2 P08253 5/20 0.57
HRH3 Q9Y5N1 12/20 0.56
HRH2 P25021 10/20 0.56
HRH1 P35367 10/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MMP1 P03956 1/20 0.53
MMP9 P14780 1/20 0.53
MMP13 P45452 1/20 0.53

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
SCHEMBL16798363 0.98 HDAC1 (0.58) MMP3MMP2HRH3HRH2HRH1
SCHEMBL28887343 0.98 HDAC1 (0.58) MMP3MMP2HRH3HRH2HRH1
SCHEMBL9653965 0.95 MMP2 (0.58) MMP3MMP2HRH3HRH2HRH1
SCHEMBL22645668 0.94 HRH3 (0.54) MMP3MMP2HRH3HRH2HRH1
SCHEMBL26602050 0.91 MMP3 (0.66) MMP3MMP2HRH3HRH2HRH1
SCHEMBL28388624 0.89 MMP2 (0.60) MMP3MMP2HRH3HRH2HRH1
SCHEMBL29444063 0.89 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL16841044 0.89 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL18079151 0.89 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL2779902 0.89 HRH3 (0.53) MMP3MMP2HRH3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415278-A1 Compounds having an ethylenic group in terminal position and their use in nonlinear optics BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed