SCHEMBL7097715

SCHEMBL7097715

C=C(CCNC(=O)Nc1cccc(O)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.51
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BAZ1A Q9NRL2 1/20 0.45
CASR P41180 3/20 0.44
GRIK1 P39086 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MTOR P42345 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
SCHEMBL7098401 0.92 MARS1 (0.55) MARS1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL7094691 0.91 MARS1 (0.54) MARS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7094079 0.90 MARS1 (0.53) MARS1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2314772 0.85 EPHX1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5682291 0.82 MAOA (0.50) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL7099121 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL3245140 0.78 MARS1 (0.61) MARS1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL6688583 0.78 MARS1 (0.60) MARS1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL27405007 0.78 ALDH1A1 (0.53) ALDH1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL28804346 0.78 ALDH1A1 (0.53) ALDH1A1CYP1A2MAPTMEN1KMT2A

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