SCHEMBL9053655

SCHEMBL9053655

CCCCCN(/C=C/N(CCCCC)CCCCC)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.48
TSHR P16473 4/20 0.41
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
LMNA P02545 1/20 0.35
GBA1 P04062 1/20 0.34
SLC22A1 O15245 2/20 0.33
MGLL Q99685 1/20 0.33
SLC22A2 O15244 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL10379497 0.97 DNM1 (0.52) DNM1TSHRTHRBCA12CA1
SCHEMBL18325057 0.94 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL18325052 0.94 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL10379744 0.89 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL10527089 0.87 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL22157539 0.86 DNM1 (0.42) DNM1TSHRTHRBCA12CA1
SCHEMBL22157543 0.86 DNM1 (0.42) DNM1TSHRTHRBCA12CA1
SCHEMBL21148311 0.84 DNM1 (0.40) DNM1TSHRTHRBCA12CA1
SCHEMBL22157395 0.84 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL7875652 0.84 DNM1 (0.46) DNM1TSHRTHRBCA12CA1

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
WO-1996037535-A1 METHOD OF PREPARING POLY(PHENYLENE OXIDES) IN CARBON DIOXIDE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-28 WO disclosed