SCHEMBL4946291

SCHEMBL4946291

CC(C)Cc1ccc2ccccc2c1S(=O)(=O)O.[Na]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
SLC2A1 P11166 5/20 0.38
G6PD P11413 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL634474 0.98 CYP2D6 (0.40) CYP2D6CNR2CNR1SLC2A1GABRA1
Ammonia Solution, Strong SCHEMBL23749092 0.97 CYP2D6 (0.39) CYP2D6CNR2CNR1SLC2A1GABRA1
Ammonia Solution, Strong SCHEMBL23749194 0.82 SLC2A1 (0.39) CYP2D6SLC2A1KDM4EALDH1A1LMNA
SCHEMBL6336158 0.82 CYP2D6 (0.44) CYP2D6SLC2A1ALDH1A1TDP1
SCHEMBL417875 0.82 SLC2A1 (0.45) CYP2D6SLC2A1ALDH1A1TDP1
SCHEMBL1024286 0.82 NR1I2 (0.35) CNR2CNR1SLC2A1KDM4EALDH1A1
Potassium Ion SCHEMBL23749214 0.82 CYP1A2 (0.34) CNR2CNR1SLC2A1KDM4EALDH1A1
SCHEMBL10784294 0.81 SLC2A1 (0.41) CYP2D6SLC2A1KDM4EALDH1A1LMNA
SCHEMBL10890143 0.81 CYP2D6 (0.43) CYP2D6CNR2CNR1SLC2A1GABRA1
SCHEMBL11231146 0.81 SLC2A1 (0.39) CYP2D6SLC2A1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825892-A Melanin and graphene composite material modified latex material and preparation method thereof 上海烯望材料科技有限公司 2020-10-27 CN claimed
US-7416836-B2 Developing solution for lithographic printing plate precursor and method for making lithographic printing plate FUJIFILM CORPORATION (JP) 2008-08-26 US disclosed
US-20070099120-A1 Developing solution for lithographic printing plate precursor and method for making lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2007-05-03 US disclosed
US-20050175942-A1 Developing solution for lithographic printing plate precursor and method for making lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2005-08-11 US disclosed