SCHEMBL4279715

SCHEMBL4279715

CCCCCCCC[Sn](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.33
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH1A1 P00352 4/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 2/20 0.31
ATM Q13315 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL4266447 0.91 CYP3A4 (0.35) CYP3A4TSHRL3MBTL1ALDH1A1TDP1
SCHEMBL4278230 0.86
SCHEMBL1592356 0.83 CYP3A4 (0.33) CYP3A4TSHRTHRBL3MBTL1PRSS1
SCHEMBL2329380 0.83 CYP3A4 (0.33) CYP3A4TSHRTHRBL3MBTL1PRSS1
SCHEMBL1592774 0.80 CYP3A4 (0.32) CYP3A4TSHRTHRBL3MBTL1PRSS1
SCHEMBL2330464 0.79 CYP3A4 (0.31) CYP3A4L3MBTL1
SCHEMBL4267114 0.77 CYP3A4 (0.30) CYP3A4L3MBTL1
SCHEMBL4274841 0.75 TSHR (0.42) TSHRTHRBALDH1A1LMNADNM1
SCHEMBL2321395 0.74 CYP3A4 (0.35) CYP3A4TSHRL3MBTL1ALDH1A1TDP1
SCHEMBL2328463 0.74 CYP3A4 (0.35) CYP3A4TSHRL3MBTL1ALDH1A1TDP1

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