SCHEMBL6600799

SCHEMBL6600799

CCOC(=O)c1ccccc1CCN

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 3/20 0.60
HTR6 P50406 1/20 0.49
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
CDC25B P30305 2/20 0.48
LMNA P02545 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HMGB1 P09429 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL28280204 0.90 TSHR (0.61) TSHRALDH1A1HSD17B10HTR6SCN1A
SCHEMBL8733285 0.86 TSHR (0.69) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL11061326 0.86 TSHR (0.69) TSHRALDH1A1HSD17B10CDC25BLMNA
SCHEMBL9468320 0.85 TSHR (0.54) TSHRALDH1A1HSD17B10HTR6SCN1A
SCHEMBL578128 0.84 TSHR (0.77) TSHRALDH1A1HSD17B10CDC25BLMNA
SCHEMBL23183168 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL16672495 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL5540432 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL1791133 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL4257846 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101592864-B Single-component water-emulsion type rotary screen stenciling sensitive material SHANGHAI ZHONGDA SCIENCE & TECHNOLOGY DEV CO LTD 2012-07-11 CN disclosed
CN-101241304-B Water-resistant environment-friendly rotary screen plate-making photoresist SHANGHAI ZHONGDA SCIENCE & TECHNOLOGY DEV CO LTD 2012-05-09 CN disclosed
CN-101592864-A Single-component water-emulsion type rotary screen stenciling sensitive material SHANGHAI ZHONGDA SCI & TECH DEVELOPMENT CO LTD (CN) 2009-12-02 CN disclosed
CN-101241304-A Waterfast environment-friendly type rotary screen stenciling photoresist SHANGHAI ZHONGDA SCI & TECH DEVELOPMENT CO LTD (CN) 2008-08-13 CN disclosed
EP-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO disclosed