SCHEMBL5154776

SCHEMBL5154776

O=C(O)N(CCCCN(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PAX8 Q06710 2/20 0.54
JAK2 O60674 1/20 0.54
ALDH1A1 P00352 3/20 0.52
GLA P06280 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 4/20 0.50
TP53 P04637 1/20 0.50
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL17473048 0.98 NPC1 (0.57) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL30957362 0.98 NPC1 (0.57) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL894066 0.90 NPC1 (0.69) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL4918307 0.90 ADRA2C (0.50) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL5509984 0.89 NPC1 (0.71) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL7995028 0.89 NPC1 (0.71) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL8032558 0.89 NPC1 (0.71) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL7469093 0.89 NPC1 (0.71) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL2892022 0.88 NPC1 (0.61) ADRA2CNPC1RAB9APAX8JAK2
SCHEMBL7791465 0.84 HDAC3 (0.51) ADRA2CNPC1RAB9APAX8ALDH1A1

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-1226209-B1 A COMBINATION OF A SOLID SOLVENT AND A MELT-PROCESSIBLE BLOCK COPOLYMER GORE ENTERPRISE HOLDINGS INC (US) 2007-01-10 EP disclosed
US-6387994-B1 MIXTURES W. L. GORE & ASSOCIATES, INC. 2002-05-14 US disclosed