SCHEMBL6828038

SCHEMBL6828038

CN(C)c1ccc(COC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 4/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
APP P05067 6/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2A13 Q16696 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.44
CALM1 P0DP23 2/20 0.41
PTGS1 P23219 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL29079448 0.87 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1CYP2A6CYP2A13
SCHEMBL11392894 0.82 CA2 (0.39) TSHRCYP3A4
SCHEMBL27749788 0.81 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL9536656 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL24696625 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL19269518 0.78 ALDH1A1 (0.44) ALDH1A1TSHRAPPHPGDKDM4E
SCHEMBL27337857 0.78 CRHBP (0.36) ALDH1A1TSHRMAPK1CYP3A4HPGD
Trimethylammonium SCHEMBL19813147 0.78 TSHR (0.44) ALDH1A1TSHRHPGDMAPT
SCHEMBL146541 0.77 AGXT (0.52) ALDH1A1MAPK1CYP2A6HPGDNPC1
SCHEMBL147464 0.77 ALDH1A1 (0.43) ALDH1A1TDP1CYP2A6HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103038706-B Polymerizable composition 富士胶片株式会社 2016-10-12 CN disclosed
CN-103339537-B Light-shielding composition, method for producing same, solder resist, and method for forming pattern FUJIFILM CORP. (JP) 2016-02-03 CN disclosed
CN-103339537-A Light-shielding composition, method for producing light-shielding composition, solder resist, method for forming pattern, and solid-state imaging element FUJI PHOTO FILM CO LTD 2013-10-02 CN disclosed
CN-103038706-A Polymerizable composition FUJIFILM CORP 2013-04-10 CN disclosed
CN-101370772-B Diketooxime ester compound and use thereof TOYO INK MFG CO 2012-10-17 CN disclosed
CN-101370772-A Diketooxime ester compound and use thereof TOYO INK MFG CO (JP) 2009-02-18 CN disclosed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed