SCHEMBL8899427

SCHEMBL8899427

OCCC(=NO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
DRD4 P21917 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CTSL P07711 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
SCHEMBL6931994 0.84 HDAC8 (0.53) ATMDRD4CA12CA1CA2
SCHEMBL11099518 0.82 CA12 (0.47) ATMDRD4CA12CA1CA2
SCHEMBL2470468 0.81 ATM (0.48) ATMDRD4CA12CA1CA2
SCHEMBL5449384 0.80 ATM (0.54) ATMDRD4CA12CA1CA2
SCHEMBL14604957 0.80 ATM (0.54) ATMDRD4CA12CA1CA2
SCHEMBL5449388 0.80 ATM (0.54) ATMDRD4CA12CA1CA2
SCHEMBL11651881 0.79 ATM (0.46) ATMDRD4CA12CA1CA2
SCHEMBL5099035 0.78 NR4A2 (0.57) ATMDRD4CA12CA1CA2
SCHEMBL6157413 0.78 NR4A2 (0.57) ATMDRD4CA12CA1CA2
SCHEMBL5099030 0.78 NR4A2 (0.57) ATMDRD4CA12CA1CA2

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
US-5677370-A CONTAINING PIGMENTS, COLOR FRITS, POLYMERIC BINDERS, ISOPARAFFIN SOLVENTS; PREVENTION OF SKIN FORMATION CERDEC AG KERAMISCHE FARBEN (DE) 1997-10-14 US disclosed