SCHEMBL8551371

SCHEMBL8551371

CC(=CCCNC(=O)Nc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.49
MAPT P10636 3/20 0.46
KCNQ2 O43526 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
HTR2A P28223 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8551365 1.00 GOT1 (0.49) GOT1MAPTKCNQ2ALDH1A1MEN1
SCHEMBL8547215 0.84 ITGB3 (0.62) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL8547218 0.84 ITGB3 (0.62) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7097491 0.84 GAA (0.46) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7097494 0.84 GAA (0.46) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL15914249 0.81 GAA (0.53) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL15914251 0.81 GAA (0.53) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL8549835 0.81 EPHX1 (0.54) MAPTALDH1A1MEN1CYP2C9HPGD
SCHEMBL8549827 0.81 EPHX1 (0.54) MAPTALDH1A1MEN1CYP2C9HPGD
SCHEMBL8546383 0.81 HDAC1 (0.56)

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