SCHEMBL19933388

SCHEMBL19933388

CCOC(=O)C1CC(COCC2CCC(COCC3CC(C(=O)OCC)C(=O)O3)CC2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
TLR4 O00206 1/20 0.34
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
OPRK1 P41145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL19933374 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL11238733 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL31280081 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL14498070 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL7696066 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7157493 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL14485737 0.72 MEN1 (0.46) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL9739117 0.69 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL28261402 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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