SCHEMBL19933374

SCHEMBL19933374

CCOC(=O)C1CC(COCCCCOCC2C[C@H](C(=O)OCC)C(=O)O2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
TLR4 O00206 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 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
SCHEMBL19933346 1.00 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL19933388 0.88 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL11238733 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL19933354 0.81 ALDH1A1 (0.35) ALDH1A1LMNAKDM4E
SCHEMBL31280081 0.80 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL7696066 0.78 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EMAPTMEN1
SCHEMBL7157493 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL14498070 0.74 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL14485737 0.73 MEN1 (0.46) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL7027039 0.72 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018041930-A1 ADHESIVES BASED ON GAMMA-LACTONES HENKEL AG & CO. KGAA (DE) 2018-03-08 WO disclosed