SCHEMBL22360623

SCHEMBL22360623

C=C(C)C(=O)OCc1ccc(N(CCOC)CCOC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
TSHR P16473 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.37
MAPT P10636 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
ESRRG P62508 1/20 0.34
THRB P10828 1/20 0.34
HIF1A Q16665 3/20 0.34
LMNA P02545 3/20 0.34
NFKB1 P19838 2/20 0.34

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
SCHEMBL8063529 0.86 ESRRG (0.44) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL8077288 0.83 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL8072062 0.82 MAPT (0.44) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL19980954 0.82 PHLPP2 (0.40) ALDH1A1TSHRHPGDGAAMAPK1
SCHEMBL2602527 0.81 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL254038 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1POLB
SCHEMBL1468923 0.79 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL13051029 0.77 CNR2 (0.44) ALDH1A1MAPTPOLBHTTMEN1
SCHEMBL3192372 0.77 CA1 (0.43) ALDH1A1TSHRSMN1; SMN2HPGDGAA
SCHEMBL19980921 0.75 PHLPP2 (0.44) ALDH1A1TSHRNPC1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135842-A1 SINGLE-COMPONENT ADHESIVE COMPOSITIONS OHIO STATE INNOVATION FOUNDATION 2022-05-05 US disclosed
WO-2020168201-A1 SINGLE-COMPONENT ADHESIVE COMPOSITIONS OHIO STATE INNOVATION FOUNDATION (US) 2020-08-20 WO disclosed