SCHEMBL7098402

SCHEMBL7098402

CC(=CCCNC(=O)Nc1cccc(O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 4/20 0.49
MARS1 P56192 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
EPHX1 P07099 3/20 0.42
TRPV1 Q8NER1 3/20 0.42
NLRP3 Q96P20 1/20 0.42
BAZ1A Q9NRL2 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL7098399 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2MAPTMARS1NPC1
SCHEMBL7094078 0.91 MARS1 (0.51) ALDH1A1CYP1A2MAPTMARS1NPC1
SCHEMBL7094080 0.91 MARS1 (0.51) ALDH1A1CYP1A2MAPTMARS1NPC1
SCHEMBL8549835 0.86 EPHX1 (0.54) ALDH1A1CYP1A2MAPTNPC1RAB9A
SCHEMBL8549827 0.86 EPHX1 (0.54) ALDH1A1CYP1A2MAPTNPC1RAB9A
SCHEMBL4942266 0.84 MAOA (0.46) ALDH1A1CYP1A2MAPTNPC1RAB9A
SCHEMBL5670853 0.84 MAOA (0.46) ALDH1A1CYP1A2MAPTNPC1RAB9A
SCHEMBL7096722 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2MAPTNPC1RAB9A
SCHEMBL7096718 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2MAPTNPC1RAB9A
SCHEMBL9007572 0.81 EPHX1 (0.55) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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