SCHEMBL19933449

SCHEMBL19933449

CCOC(=O)C1OC(COCCCCOC)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR4 O00206 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL29205339 0.71 ALDH1A1 (0.41) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL31555465 0.71 PPM1B (0.43) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL19933374 0.69 ALDH1A1 (0.42) ALDH1A1TDP1TSHRSMN1; SMN2PPM1B
SCHEMBL19933346 0.69 ALDH1A1 (0.42) ALDH1A1TDP1TSHRSMN1; SMN2PPM1B
SCHEMBL25756047 0.67 ALDH1A1 (0.58) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL13951299 0.65 SMN1; SMN2 (0.50) ALDH1A1TDP1TSHRSMN1; SMN2KDM4E
SCHEMBL2623200 0.65 TSHR (0.82) ALDH1A1TDP1TSHRSMN1; SMN2KMT2A
SCHEMBL15467643 0.64 TSHR (0.64) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL10071426 0.63 TSHR (0.78) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL10071427 0.63 TSHR (0.78) ALDH1A1TDP1TSHRSMN1; SMN2

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