SCHEMBL4267332

SCHEMBL4267332

CCCCCCCCC(CCCC)O[Sn].CCCCCOC(=O)OCCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
PLA2G2C Q5R387 1/20 0.45
HCAR2 Q8TDS4 2/20 0.44
EPHX1 P07099 1/20 0.43
TSHR P16473 3/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CA2 P00918 1/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 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
SCHEMBL4272114 1.00 NAAA (0.46) NAAAPLA2G2CHCAR2EPHX1TSHR
SCHEMBL4267978 1.00 NAAA (0.46) NAAAPLA2G2CHCAR2EPHX1TSHR
SCHEMBL4277386 0.98 NAAA (0.47) NAAAPLA2G2CHCAR2EPHX1TSHR
SCHEMBL4278007 0.98 NAAA (0.47) NAAAPLA2G2CHCAR2EPHX1TSHR
SCHEMBL4267372 0.97 NAAA (0.44) NAAAPLA2G2CHCAR2EPHX1TSHR
SCHEMBL4273780 0.92 NAAA (0.41) NAAAPLA2G2CHCAR2EPHX1TSHR
SCHEMBL4266390 0.88 ALDH1A1 (0.42) NAAAPLA2G2CHCAR2EPHX1TSHR
SCHEMBL4272119 0.85 ZDHHC7 (0.40) NAAAPLA2G2CHCAR2EPHX1ZDHHC7
SCHEMBL4270184 0.81 CA2 (0.41) PLA2G2CHCAR2TSHRCA2ALDH1A1
SCHEMBL38661018 0.81 NAAA (0.50) NAAAHCAR2EPHX1TSHRZDHHC7

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