SCHEMBL4285020

SCHEMBL4285020

OC(CCCCl)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.39
CA2 P00918 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
SCHEMBL27678869 0.89 CA1 (0.43) CA1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL8760815 0.89 CA1 (0.43) CA1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL29172647 0.85 CA1 (0.48) CA1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4488619 0.84 LTA4H (0.45) CA1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL29087906 0.84 LTA4H (0.45) CA1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL22455862 0.82 LTA4H (0.44) CA1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL3338742 0.82 CETP (0.44) CA1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL2799652 0.81 CSNK1E (0.50) ALDH1A1TSHRMAPK1
SCHEMBL3779628 0.79 CA1 (0.44) CA1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4100347 0.79 CA1 (0.44) CA1SLC1A3SLC1A2SLC1A1CYP1A2

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
CN-111094243-A Compounds and compositions for treating conditions associated with NLRP activity 诺华炎症研究公司 2020-05-01 CN disclosed
US-8883504-B2 Cell differentiation suppressing agent, method of culturing cells using the same, culture solution, and cultured cell line ASAHI KASEI KABUSHIKI KAISHA (JP) 2014-11-11 US disclosed
US-20090155906-A1 CELL DIFFERENTIATION SUPPRESSING AGENT, METHOD OF CULTURING CELLS USING THE SAME, CULTURE SOLUTION, AND CULTURED CELL LINE MIYABAYASHI TOMOYUKI 2009-06-18 US disclosed
US-6180621-B1 ADMINISTERING TO WARM-BLOODED ANIMALS FOR TREATMENT AND PREVENTION OF INFECTIOUS DISEASES CAUSED BY HELICOBACTER PYLORI SANKYO COMPANY, LIMITED (JP) 2001-01-30 US disclosed