SCHEMBL7097508

SCHEMBL7097508

C=C(CCCNC(=O)Nc1cc(C)ccc1O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
KCNMA1 Q12791 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL7099322 0.96 GAA (0.52) GAAKCNMA1KMT2APOLBSMN1; SMN2
SCHEMBL7097410 0.95 GAA (0.51) GAAKCNMA1KMT2APOLBSMN1; SMN2
SCHEMBL7097167 0.92 GAA (0.52) GAAKCNMA1KMT2APOLBSMN1; SMN2
SCHEMBL7098733 0.83 HDAC1 (0.52) CA12CA1CA2CA9
SCHEMBL7097492 0.82 MARS1 (0.51) GAAKMT2APOLBCA12CA1
SCHEMBL8550840 0.80 ALDH1A1 (0.60) KMT2ASMN1; SMN2CA12CA1CA2
SCHEMBL7094061 0.80 HDAC1 (0.51) CA12CA1CA2CA9
SCHEMBL7098354 0.79 HDAC1 (0.50) CA12CA1CA2CA9
SCHEMBL7093746 0.78 MARS1 (0.50) GAAKMT2APOLBITGB3ITGAV
SCHEMBL8547216 0.78 ITGB3 (0.66) GAAKMT2APOLBSMN1; SMN2MAPT

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