SCHEMBL8550052

SCHEMBL8550052

C=C(CCNC(=O)Nc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.52
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
HTR2A P28223 2/20 0.47
ADRA1A P35348 2/20 0.47
DRD3 P35462 2/20 0.47
SOAT1 P35610 2/20 0.46
MAPT P10636 2/20 0.46
KCNQ2 O43526 1/20 0.46
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8551368 0.92 HTR1A (0.50) GOT1ITGB3ITGAVHTR1AADRA2A
SCHEMBL7097365 0.83 ITGB3 (0.51) ITGB3ITGAVMAPTHTTALDH1A1
SCHEMBL6289117 0.82 GOT1 (0.59) GOT1ITGB3ITGAVHTR1AADRA2A
SCHEMBL8546341 0.82 ITGB3 (0.74) ITGB3ITGAVMAPTALDH1A1MEN1
SCHEMBL6289115 0.81 GOT1 (0.57) GOT1ITGB3ITGAVHTR1AADRA2A
SCHEMBL8545918 0.80 EPHX1 (0.64) MAPTL3MBTL1ALDH1A1MEN1CYP2C9
SCHEMBL2314772 0.79 EPHX1 (0.55) HTTALDH1A1MEN1KMT2ANPSR1
SCHEMBL7094697 0.79 HDAC1 (0.53) ITGB3ITGAVCA12CA1CA2
SCHEMBL28804299 0.78 ALDH1A1 (0.50) GOT1MAPTKCNQ2HTTL3MBTL1
SCHEMBL14424463 0.77 POLB (0.67) GOT1HTR1AADRA2ADRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed