SCHEMBL8377258

SCHEMBL8377258

CCOC(=O)C(O)c1ccc(OC)c(OCCOC)c1OCCOC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
FDPS P14324 4/20 0.39
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.36
TNFRSF1A P19438 1/20 0.36
PDE4D Q08499 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
ALDH1A1 P00352 2/20 0.35
AOC3 Q16853 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL8677374 0.85 MAPT (0.40) TP53FDPSTSHRTNFRSF1AL3MBTL1
SCHEMBL8636164 0.81 LMNA (0.39) FDPSL3MBTL1LMNAMAPTALDH1A1
SCHEMBL875062 0.76 KMT2A (0.48) TSHRPDE4DL3MBTL1LMNAMAPT
SCHEMBL22144400 0.72 MEN1 (0.49) TSHRL3MBTL1LMNAMAPTTDP1
SCHEMBL22283800 0.72 MEN1 (0.49) TSHRL3MBTL1LMNAMAPTTDP1
SCHEMBL10640237 0.72 MEN1 (0.47) L3MBTL1LMNA
SCHEMBL10853633 0.72 MEN1 (0.47) L3MBTL1LMNA
SCHEMBL490607 0.69 AOC3 (0.46) TSHRMAPK1L3MBTL1LMNAMAPT
SCHEMBL8677379 0.69 TNFRSF1A (0.40) TP53FDPSTSHRMAPK1TNFRSF1A
SCHEMBL8377259 0.68 SMN1; SMN2 (0.47) FDPSTSHRMAPK1TNFRSF1AL3MBTL1

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-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed