SCHEMBL8208714

SCHEMBL8208714

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 3/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31

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
SCHEMBL8219523 0.92 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9225102 0.89 CA1 (0.41) ALDH1A1THRBTSHRTDP1CA1
SCHEMBL14444688 0.85 CA1 (0.47) CA1FDPS
SCHEMBL8218550 0.83 THRB (0.38) KMT2ATHRBKDM4EMAPK1HIF1A
SCHEMBL11158627 0.82 HDAC1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ATHRB
SCHEMBL8207610 0.82 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL18155249 0.80 THRB (0.38) SMN1; SMN2ALDH1A1THRBCYP3A4TP53
SCHEMBL9227178 0.80 CA1 (0.44) ALDH1A1TSHRTDP1CA1CYP3A4
SCHEMBL14410129 0.80 HTT (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10580596 0.80 THRB (0.36) SMN1; SMN2ALDH1A1THRBTSHRCHRM1

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-0580308-B1 Working fluid composition for refrigeration machine KAO CORP (JP) 2000-11-15 EP disclosed
US-5395544-A Ester-containing working fluid composition for refrigerating machine KAO CORPORATION (JP) 1995-03-07 US disclosed
EP-0580308-A1 Working fluid composition for refrigeration machine KAO CORPORATION (JP) 1994-01-26 EP disclosed