SCHEMBL853319

SCHEMBL853319

[2H][CH]c1coc(Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.50
CALM1 P0DP23 1/20 0.38
DAO P14920 2/20 0.35
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP1 P09874 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL584802 0.87 IDH1 (0.54) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL27719076 0.75 IDH1 (0.58) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL11125823 0.72 IDH1 (0.54) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL584803 0.72 IDH1 (0.54) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL11040268 0.72 IDH1 (0.64) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL11483794 0.70 IDH1 (0.57) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL358651 0.70 IDH1 (0.57) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL11195540 0.70 IDH1 (0.53) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL11173312 0.70 IDH1 (0.53) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL15978541 0.70 IDH1 (0.53) IDH1CALM1DAOBCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1356728-B1 FAN TYPE CHEMICAL DISPERSION EQUIPMENT FUMAKILLA LTD (JP) 2012-03-28 EP disclosed
EP-1262100-B1 FAN TYPE CHEMICALS DIFFUSING DEVICE FUMAKILLA LTD (JP) 2011-07-06 EP disclosed