SCHEMBL27615397

SCHEMBL27615397

C=CCc1ccccc1B(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL1158686 0.80 GABRA1 (0.37) GABRA1GABRB2KDM4EALDH1A1GAA
Benzene SCHEMBL28085432 0.76 GABRA1 (0.54) GABRA1GABRB2KDM4EALDH1A1MAPT
SCHEMBL2942285 0.76 LIPG (0.48) GABRA1GABRB2KDM4EALDH1A1ADRA2C
SCHEMBL1158664 0.74 GABRA1 (0.41) GABRA1GABRB2KDM4EALDH1A1AKR1B1
Hydrogen Peroxide SCHEMBL7819301 0.74 GABRA1 (0.58) GABRA1GABRB2KDM4EALDH1A1MAPT
Hydrogen Peroxide SCHEMBL10784213 0.74 GABRA1 (0.58) GABRA1GABRB2KDM4EALDH1A1MAPT
SCHEMBL173300 0.73 GABRA1 (0.56) GABRA1GABRB2KDM4EALDH1A1MAPT
SCHEMBL29763626 0.73 GABRA1 (0.56) GABRA1GABRB2KDM4EALDH1A1MAPT
SCHEMBL188126 0.72 CALM1 (0.44)
Phosphine SCHEMBL28908229 0.71 GABRA1 (0.54) GABRA1GABRB2KDM4EALDH1A1MAPT

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-101605523-B Adhesive agent for adhesion between alginate impression material for dental applications and impression tray, and kit comprising the adhesive agent TOKUYAMA CORP 2012-09-05 CN disclosed
CN-101218263-B Thermally reactive near-infrared absorbing acetal copolymers, methods of preparation and methods of use AMERICAN DYE SOURCE INC 2011-06-15 CN disclosed
CN-101605523-A Tooth section is with the bonding agent of alginate impression material and impression tray and the kit utility that comprises this bonding agent TOKUYAMA DENTAL CORP (JP) 2009-12-16 CN disclosed
CN-101218263-A Thermally reactive near-infrared absorbing acetal copolymers, methods of preparation and methods of use AMERICAN DYE SOURCE INC (CA) 2008-07-09 CN disclosed
CN-101044433-A Photosensitive composition, image forming material, image forming member, and image forming method MITSUBISHI CHEM CORP (JP) 2007-09-26 CN disclosed
CN-1717628-A Curable composition, cured product, color filter and liquid crystal display device MITSUBISHI CHEM CORP (JP) 2006-01-04 CN disclosed