SCHEMBL7567008

SCHEMBL7567008

[CH2]c1cccc(OC)c1OCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.42
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 4/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL28586196 0.86 SMN1; SMN2 (0.65) SMN1; SMN2PTPN1POLBMAPK1ALDH1A1
SCHEMBL10980213 0.83 SMN1; SMN2 (0.52) SMN1; SMN2POLBMAPK1ALDH1A1CYP2D6
SCHEMBL42242 0.80 SMN1; SMN2 (0.50) SMN1; SMN2POLBMAPK1ALDH1A1MEN1
SCHEMBL3671710 0.79 SMN1; SMN2 (0.55) SMN1; SMN2PTPN1POLBMAPK1ALDH1A1
SCHEMBL7942502 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PTPN1POLBMAPK1ALDH1A1
SCHEMBL3711484 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PTPN1POLBMAPK1ALDH1A1
SCHEMBL7532608 0.77 BCHE (0.58) MAPK1L3MBTL1MAPTKDM4E
SCHEMBL4770649 0.77 ABCB1 (0.56) SMN1; SMN2POLBMAPK1ALDH1A1TSHR
SCHEMBL7329822 0.76 CA1 (0.39) SMN1; SMN2PTPN1POLBALDH1A1CYP1A2
SCHEMBL2220154 0.76 PTPN1 (0.51) SMN1; SMN2PTPN1POLBMAPK1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236717-A1 OXIME O-ETHER COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. (JP) 2002-09-04 EP disclosed