SCHEMBL14445896

SCHEMBL14445896

COc1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)n(C)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 4/20 0.53
TEK Q02763 5/20 0.47
ERN1 O75460 1/20 0.43
FYN P06241 1/20 0.41
MAPK13 O15264 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
TGFBR1 P36897 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
COMT P21964 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
NOX1 Q9Y5S8 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
SCHEMBL14445889 0.86 TUBB4A (0.43) SMPD3TEKMAPK14NOX1
SCHEMBL12152222 0.86 SMPD3 (0.47) SMPD3TEKERN1MAPK13CSF1R
SCHEMBL9494004 0.83 SMPD3 (0.40) SMPD3TEKFGFR1NOX1
SCHEMBL12152143 0.80 SMPD3 (0.49) SMPD3ERN1FYNNOX1
SCHEMBL27881874 0.79 LMNA (0.59) TEK
SCHEMBL22301609 0.75 SMPD3 (0.62) SMPD3ERN1NOX1
SCHEMBL13228808 0.75 SMPD3 (0.44) SMPD3ERN1FYN
SCHEMBL4429243 0.74 TEK (0.60) TEKMAPK13CSF1RFGFR1KDR
SCHEMBL5082102 0.74 TEK (0.60) TEKMAPK13CSF1RFGFR1KDR
SCHEMBL28645570 0.73 ERN1 (0.70) SMPD3ERN1

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-1684115-B1 Photothermographic material KONICA MINOLTA MED & GRAPHIC (JP) 2007-08-08 EP disclosed
US-20070054225-A1 SILVER SALT PHOTOTHERMOGRAPHIC DRY IMAGING MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-03-08 US disclosed
US-20070054225-A1 SILVER SALT PHOTOTHERMOGRAPHIC DRY IMAGING MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-03-08 US disclosed