SCHEMBL4416112

SCHEMBL4416112

CCCCCOOC(=O)OCCCCC.CCCC[Sn]CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
EPHX1 P07099 1/20 0.41
TSHR P16473 4/20 0.40
HCAR2 Q8TDS4 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4424577 0.98 NAAA (0.46) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL4430347 0.98 NAAA (0.46) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL4413168 0.95 NAAA (0.46) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL4412911 0.95 NAAA (0.46) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL4419451 0.95 NAAA (0.46) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL14346491 0.95 ALDH1A1 (0.44) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL4413605 0.92 NAAA (0.42) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL2217467 0.89 NAAA (0.52) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL4423434 0.88 ALDH1A1 (0.35) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL10476907 0.87 NAAA (0.55) NAAAEPHX1TSHRHCAR2ALDH1A1

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