SCHEMBL12200029

SCHEMBL12200029

CCCCC(OC)OCCC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMPD1 P17405 3/20 0.32
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4444204 0.87 DNM1 (0.38) DNM1CA1CA2SMPD1CYP3A4
SCHEMBL6375988 0.85
SCHEMBL5932145 0.85
SCHEMBL611894 0.82
SCHEMBL1608049 0.81 DNM1 (0.33) DNM1
SCHEMBL6376881 0.81 ADRB2 (0.35) DNM1CA1CA2CYP3A4ALDH1A1
SCHEMBL31106248 0.80 SMPD1 (0.33) SMPD1
SCHEMBL3381796 0.80 SMPD1 (0.43) DNM1CA1CA2SMPD1
SCHEMBL3398820 0.79 TSHR (0.30)
SCHEMBL5932270 0.79

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-2030971-B1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA (JP) 2011-10-12 EP disclosed