SCHEMBL10376451

SCHEMBL10376451

CCOC(=O)C(=Cc1cc(OC)c(O)c([N+](=O)[O-])c1)C(C)=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
GLO1 Q04760 1/20 0.56
GPR35 Q9HC97 1/20 0.55
MAPT P10636 8/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.49
JUN P05412 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GFER P55789 1/20 0.46

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
SCHEMBL7279215 0.88 GPR35 (0.70) EGFRGPR35MAPTKDM4EMEN1
SCHEMBL12211765 0.87 MAPT (0.51) GLO1MAPTKDM4ELMNAMEN1
SCHEMBL10673449 0.87 MAPT (0.51) GLO1MAPTKDM4ELMNAMEN1
SCHEMBL2213830 0.87 MAPT (0.51) GLO1MAPTKDM4ELMNAMEN1
SCHEMBL28685595 0.85 GLO1 (0.63) GLO1MAPTKDM4ELMNAMEN1
SCHEMBL16160385 0.82 ALDH1A1 (0.68) EGFRGPR35MAPTKDM4ELMNA
SCHEMBL10375321 0.80 GLO1 (0.65) EGFRGLO1GPR35MAPTKDM4E
SCHEMBL10375322 0.80 GLO1 (0.65) EGFRGLO1GPR35MAPTKDM4E
SCHEMBL2897877 0.80 KMT2A (0.57) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL10671345 0.79 MEN1 (0.50) GLO1MAPTKDM4ELMNAMEN1

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-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed