SCHEMBL3398396

SCHEMBL3398396

CCc1ccccc1N(O)CC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
MGLL Q99685 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 4/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 2/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL154994 0.82 GABRA1 (0.46) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL4968161 0.82 GABRA1 (0.46) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL29484238 0.82 GABRA1 (0.46) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL10699012 0.82 GABRA1 (0.43) GABRA1GABRB2MAPTALDH1A1NPSR1
SCHEMBL462452 0.77 AR (0.49) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL3703551 0.77 MGLL (0.45) GABRA1GABRB2MGLLMAPTGAA
SCHEMBL30901799 0.77 MGLL (0.45) GABRA1GABRB2MGLLMAPTGAA
SCHEMBL8779838 0.76 KDM4E (0.42) L3MBTL1KDM4E
SCHEMBL2495979 0.76 MGLL (0.41) GABRA1GABRB2MGLLMAPTALDH1A1
Hydrochloric Acid SCHEMBL5510044 0.76 AR (0.47) GABRA1GABRB2MGLLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516795-B Preparation method of blue dye QINGDAO DOUBLE PEACH SPECIALTY CHEMICALS GROUP CO LTD 2014-04-02 CN claimed
CN-105385186-B A kind of resistance to migration orchil, preparation method and application 广州市纬庆化工科技有限公司 2017-03-29 CN disclosed
CN-103998486-B Polycarbonate copolymer, coating liquid using same, and electrophotographic photoreceptor 出光兴产株式会社 2016-06-29 CN disclosed
CN-105385186-A Migration-resistant red dye, preparation method therefor and application thereof GUANGZHOU WEIQING CHEMICAL TECH CO LTD 2016-03-09 CN disclosed
CN-102516795-B Preparation method of blue dye QINGDAO DOUBLE PEACH SPECIALTY CHEMICALS GROUP CO LTD 2014-04-02 CN disclosed
EP-2252560-A2 MULTICOMPONENT COMPOSITION FOR FILLING AND/OR GROUTING CRACKS, FLAWS, AND CAVITIES IN STRUCTURES OR EARTH AND STONE FORMATIONS Sika Technology AG (CH) 2010-11-24 EP disclosed
WO-2009077591-A2 MULTICOMPONENT COMPOSITION FOR FILLING AND/OR GROUTING CRACKS, FLAWS, AND CAVITIES IN STRUCTURES OR EARTH AND STONE FORMATIONS SIKA TECHNOLOGY AG (CH) 2009-06-25 WO disclosed