SCHEMBL7612249

SCHEMBL7612249

CCCCCCCCCN(c1ccccc1F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
TP53 P04637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 4/20 0.36
SIGMAR1 Q99720 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ICMT O60725 1/20 0.33
ALB P02768 1/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6791085 0.88 NR1H2 (0.34) ESR1TP53ALDH1A1KCNH2NR1H2
SCHEMBL6787475 0.82 SOAT1 (0.38) ICMTALB
SCHEMBL5716462 0.82 SOAT1 (0.35) ALDH1A1ICMTALBMEN1KMT2A
SCHEMBL5716436 0.82 NR1H2 (0.38) ESR1NR1H2NR1H3
SCHEMBL5715943 0.80 NPC1 (0.44) KCNH2SIGMAR1NR1H2NR1H3ICMT
SCHEMBL5715726 0.80 NPC1 (0.44) KCNH2SIGMAR1NR1H2NR1H3ICMT
SCHEMBL10621236 0.77 KCNH2 (0.41) ESR1TP53ALDH1A1KCNH2ICMT
SCHEMBL6790311 0.76 SLC6A2 (0.36) NR1H2NR1H3
SCHEMBL5715484 0.75 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL10620514 0.75 ESR1 (0.41) ESR1TP53ALDH1A1KCNH2NR1H2

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-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