SCHEMBL7097415

SCHEMBL7097415

C=C(CCCNC(=O)Nc1cccc2c(O)cccc12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.45
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
GSK3B P49841 2/20 0.43
CHEK1 O14757 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
NTRK1 P04629 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
MAPK8 P45983 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
SCHEMBL7097143 0.96 TRPV1 (0.44) TRPV1EPHX1ALDH1A1GAAKDM4E
SCHEMBL7099945 0.95 NPY5R (0.45) TRPV1EPHX1ALDH1A1GAAKDM4E
SCHEMBL7097526 0.92 TRPV1 (0.47) TRPV1EPHX1ALDH1A1GAAKDM4E
SCHEMBL7097492 0.87 MARS1 (0.51) EPHX1ALDH1A1GAAKDM4EL3MBTL1
SCHEMBL8547552 0.86 EPHX1 (0.61) TRPV1EPHX1ALDH1A1KDM4EHSD17B10
SCHEMBL7093746 0.83 MARS1 (0.50) EPHX1ALDH1A1GAAL3MBTL1MARS1
SCHEMBL1737344 0.83 TRPV1 (0.50) TRPV1EPHX1ALDH1A1GAAKDM4E
SCHEMBL7096384 0.82 HDAC1 (0.49) EPHX1ALDH1A1MARS1LMNAKMT2A
SCHEMBL7097365 0.79 ITGB3 (0.51) EPHX1ALDH1A1GAAMARS1MEN1
SCHEMBL8547216 0.78 ITGB3 (0.66) ALDH1A1GAAKDM4EMEN1MAPT

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