SCHEMBL7097167

SCHEMBL7097167

C=C(CCNC(=O)Nc1cc(C)ccc1O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.52
KCNMA1 Q12791 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HTT P42858 3/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7097508 0.92 GAA (0.53) GAAKCNMA1SMN1; SMN2MAPTITGB3
SCHEMBL7099322 0.91 GAA (0.52) GAAKCNMA1SMN1; SMN2MAPTITGB3
SCHEMBL7097410 0.90 GAA (0.51) GAAKCNMA1SMN1; SMN2MAPTITGB3
SCHEMBL7094697 0.82 HDAC1 (0.53) ITGB3ITGAVCA12CA1CA2
SCHEMBL7097365 0.81 ITGB3 (0.51) GAAMAPTITGB3ITGAVCA12
SCHEMBL8550324 0.79 ALDH1A1 (0.56) GAASMN1; SMN2CA12CA1CA2
SCHEMBL28946860 0.79 KCNMA1 (0.54) GAAKCNMA1SMN1; SMN2MAPTCA12
SCHEMBL7097507 0.77 GAA (0.48) GAAKCNMA1SMN1; SMN2MAPTCA12
SCHEMBL7097509 0.77 GAA (0.48) GAAKCNMA1SMN1; SMN2MAPTCA12
SCHEMBL8546341 0.77 ITGB3 (0.74) GAASMN1; SMN2MAPTITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737896-B1 Photosensitive composition and photosensitive planographic printing plate KODAK POLYCHROME GRAPHICS JP (JP) 2003-08-27 EP disclosed
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