SCHEMBL5715673

SCHEMBL5715673

CCCCCCCCCN(CC(C)CCC(CC)CCC)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
KCNH2 Q12809 3/20 0.35
CNR2 P34972 3/20 0.34
TACR1 P25103 3/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
ICMT O60725 1/20 0.33
ALB P02768 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ADRB2 P07550 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6439566 1.00 NPC1 (0.37) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL5715895 0.95 CNR2 (0.36) NPC1JAK2RAB9APAX8CNR2
SCHEMBL5716254 0.84 ALDH1A1 (0.38) CNR2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL5716599 0.83 CNR2 (0.40) NPC1JAK2RAB9APAX8CNR2
SCHEMBL6799231 0.82 TSHR (0.33)
SCHEMBL11904607 0.82 ALDH1A1 (0.43) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL5716358 0.79
SCHEMBL5715773 0.79 NPC1 (0.41) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL5716120 0.77
SCHEMBL7286593 0.77 NPC1 (0.43) NPC1JAK2RAB9APAX8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661900-A1 Olefin polymerization cocatalysts derived from group-15 cationic compounds and processes using them ExxonMobil Chemical Patents Inc. (US) 2006-05-31 EP disclosed
EP-1252166-B1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXONMOBIL CHEM PATENTS INC (US) 2005-11-09 EP disclosed
EP-1252166-A1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXON CHEMICAL PATENTS INC. (US) 2002-10-30 EP disclosed
WO-2001042249-A1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 COMPOUNDS AND PROCESSES USING THEM EXXON CHEMICAL PATENTS INC. (US) 2001-06-14 WO disclosed