SCHEMBL4412652

SCHEMBL4412652

CCCCCCCC[Sn]CCCCCCCC.CCCOOC(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
EPHX1 P07099 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CES2 O00748 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FAAH O00519 1/20 0.33
DNM1 Q05193 1/20 0.33
LMNA P02545 1/20 0.33
HTR2C P28335 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
SCHEMBL4423434 0.93 ALDH1A1 (0.35) NAAADGKAEPHX1TSHRALDH1A1
SCHEMBL4412911 0.90 NAAA (0.46) NAAAEPHX1TSHRALDH1A1MAPT
SCHEMBL4413605 0.90 NAAA (0.42) NAAADGKAEPHX1TSHRALDH1A1
SCHEMBL4413168 0.90 NAAA (0.46) NAAAEPHX1TSHRALDH1A1MAPT
SCHEMBL4419451 0.90 NAAA (0.46) NAAAEPHX1TSHRALDH1A1MAPT
SCHEMBL4430347 0.87 NAAA (0.46) NAAAEPHX1TSHRALDH1A1MAPT
SCHEMBL4424577 0.87 NAAA (0.46) NAAAEPHX1TSHRALDH1A1MAPT
SCHEMBL4416112 0.85 NAAA (0.43) NAAAEPHX1TSHRALDH1A1MAPT
SCHEMBL29245358 0.84 NAAA (0.48) NAAADGKAEPHX1TSHRALDH1A1
SCHEMBL14346491 0.83 ALDH1A1 (0.44) NAAAEPHX1TSHRALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362289-B2 Mixture for recovery utilization or transfer of carbon dioxide ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US disclosed
EP-2006013-B1 MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION ASAHI KASEI CHEMICALS CORP (JP) 2013-01-02 EP disclosed
EP-2006013-A9 MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION Asahi Kasei Chemicals Corporation (JP) 2009-07-22 EP disclosed
US-20090169461-A1 Mixture For Recovery Utilization Or Transfer Of Carbon Dioxide ASAHI KASEI KABUSHIKI KAISHA (JP) 2009-07-02 US disclosed
EP-2006013-A2 MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION Asahi Kasei Chemicals Corporation (JP) 2008-12-24 EP disclosed