SCHEMBL9225102

SCHEMBL9225102

CCCCC(C)C(=O)OCC(CC)(COC(=O)C(C)CCCC)COC(=O)C(C)CCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.39
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FDPS P14324 1/20 0.35
TSHR P16473 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34
CTSK P43235 2/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33

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
SCHEMBL14444688 0.93 CA1 (0.47) CA1FDPSACE2ZDHHC7
SCHEMBL9227178 0.92 CA1 (0.44) CA1CA2CYP3A4ALDH1A1FDPS
SCHEMBL8208714 0.89 SMN1; SMN2 (0.39) CA1CYP3A4ALDH1A1FDPSTSHR
SCHEMBL14193817 0.85 CA1 (0.50) CA1FDPSACE2ZDHHC7
SCHEMBL14193822 0.85 CA1 (0.50) CA1FDPSACE2ZDHHC7
SCHEMBL14193809 0.85 CA1 (0.50) CA1FDPSACE2ZDHHC7
SCHEMBL14193824 0.85 CA1 (0.50) CA1FDPSACE2ZDHHC7
SCHEMBL15294514 0.85 MAPT (0.49) CYP3A4ALDH1A1TSHRATMTDP1
SCHEMBL9218952 0.83 CA2 (0.44) CA1CA2CYP3A4ALDH1A1FDPS
SCHEMBL16308647 0.82 CA1 (0.47) CA1FDPSACE2LMNAZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475751-B1 Working fluid composition for refrigerating machine KAO CORP (JP) 1995-12-06 EP disclosed
US-5202044-A Mixture of fluorohydrocarbon, epoxycyclo(pentane or hexane), and ester KAO CORPORATION (JP) 1993-04-13 US disclosed
EP-0475751-A1 Working fluid composition for refrigerating machine Kao Corporation (JP) 1992-03-18 EP disclosed