SCHEMBL4412911

SCHEMBL4412911

CCCCCCCC[Sn]CCCCCCCC.CCCCCCCOOC(=O)OCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.43
TSHR P16473 3/20 0.42
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 6/20 0.39
HTR2C P28335 1/20 0.38

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
SCHEMBL4419451 1.00 NAAA (0.46) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4413168 1.00 NAAA (0.46) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4424577 0.97 NAAA (0.46) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4413605 0.97 NAAA (0.42) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4430347 0.97 NAAA (0.46) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4416112 0.95 NAAA (0.43) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4412652 0.90 NAAA (0.38) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL14346491 0.90 ALDH1A1 (0.44) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL7064624 0.89 NAAA (0.55) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10476907 0.89 NAAA (0.55) NAAAEPHX1TSHRHCAR2RAD52

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