SCHEMBL2162379

SCHEMBL2162379

COCCCNC(C)CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 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
SCHEMBL14654565 0.77 TDP1 (0.40) ALDH1A1TSHRTDP1HPGDKMT2A
SCHEMBL2162412 0.77 TSHR (0.33) ALDH1A1TSHRPOLB
SCHEMBL30832254 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL30744907 0.74 PIK3CD (0.32) PIK3CDALDH1A1GAATSHR
SCHEMBL8262524 0.73
SCHEMBL2178894 0.72 PRMT3 (0.42) ALDH1A1
SCHEMBL19285248 0.71 ALDH1A1 (0.33) ALDH1A1GAATSHRPOLBKDM4E
SCHEMBL2196628 0.71 PAOX (0.35) ALDH1A1GAA
SCHEMBL19285247 0.71 ALDH1A1 (0.33) ALDH1A1GAATSHRPOLBKDM4E
SCHEMBL6846735 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130011314-A1 METHOD OF REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH AN ABSORBENT SOLUTION BASED ON I, II/III DIAMINES IFP Energies Nouvelles (FR) 2013-01-10 US claimed
EP-2512630-A1 METHOD FOR REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT USING A DIAMINE-BASED ABSORBENT SOLUTION IFP Energies nouvelles (FR) 2012-10-24 EP claimed
WO-2011080405-A1 METHOD FOR REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT USING A DIAMINE-BASED ABSORBENT SOLUTION IFP Energies Nouvelles (FR) 2011-07-07 WO claimed
US-20130011314-A1 METHOD OF REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH AN ABSORBENT SOLUTION BASED ON I, II/III DIAMINES IFP Energies Nouvelles (FR) 2013-01-10 US disclosed
US-20130011314-A1 METHOD OF REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH AN ABSORBENT SOLUTION BASED ON I, II/III DIAMINES IFP Energies Nouvelles (FR) 2013-01-10 US disclosed
EP-2512630-A1 METHOD FOR REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT USING A DIAMINE-BASED ABSORBENT SOLUTION IFP Energies nouvelles (FR) 2012-10-24 EP disclosed
WO-2011080405-A1 METHOD FOR REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT USING A DIAMINE-BASED ABSORBENT SOLUTION IFP Energies Nouvelles (FR) 2011-07-07 WO disclosed