SCHEMBL22326140

SCHEMBL22326140

NCCCCCCOCCCCCCCCNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.52
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TPSAB1 Q15661 3/20 0.39
TPSD1 Q9BZJ3 3/20 0.39
TPSG1 Q9NRR2 3/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
TLR2 O60603 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLG P00747 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A2 P23975 1/20 0.39
RECQL P46063 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL21071023 1.00 PAOX (0.52) PAOXMAOAMAOBTPSAB1TPSD1
SCHEMBL21069585 0.98 PAOX (0.50) PAOXMAOAMAOBTPSAB1TPSD1
SCHEMBL21069308 0.98 PAOX (0.50) PAOXMAOAMAOBTPSAB1TPSD1
SCHEMBL22326246 0.91 TLR2 (0.43) PAOXMAOAMAOBTLR2MEN1
SCHEMBL22326266 0.91 PAOX (0.41) PAOXCYP2C19GAA
SCHEMBL25369676 0.90 PAOX (0.39) PAOXALDH1A1CYP2C19GAA
SCHEMBL22326245 0.89 PAOX (0.38) PAOXALDH1A1CYP2C19GAA
SCHEMBL27160303 0.89 TLR2 (0.41) PAOXTLR2MEN1ALDH1A1PLG
SCHEMBL17873797 0.88 PAOX (0.41) PAOXTLR2MEN1ALDH1A1LMNA
SCHEMBL7010487 0.88 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3922632-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2021-12-15 EP disclosed
WO-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO disclosed