SCHEMBL9330197

SCHEMBL9330197

CC[n+]1ccccc1Oc1cccc[n+]1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.36
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
ACHE P22303 2/20 0.31
TSHR P16473 1/20 0.31
HRH1 P35367 1/20 0.31
PDE4D Q08499 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9329839 0.84 HDAC8 (0.48) HDAC8KDM4ESMN1; SMN2NPC1RAB9A
Fluoride Ion SCHEMBL18740631 0.82 HDAC8 (0.46) HDAC8KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9332458 0.76 HDAC8 (0.41) HDAC8KDM4ESMN1; SMN2HTTACHE
SCHEMBL11430745 0.75 KDM4E (0.37) KDM4ESMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10266294 0.72 HDAC8 (0.41) HDAC8KDM4ESMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL663764 0.71 HDAC8 (0.40) HDAC8ALDH1A1MAPTKMT2AACHE
Iodide SCHEMBL28265270 0.71 GAA (0.42) HDAC8KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL9330218 0.70 HDAC8 (0.36) HDAC8KDM4ESMN1; SMN2RAB9AMEN1
Iodide SCHEMBL28830448 0.69 HDAC8 (0.39) HDAC8ALDH1A1MAPTACHETSHR
SCHEMBL26077634 0.69 HDAC8 (0.53) HDAC8ACHETSHRHRH1PDE4D

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-0440784-B1 PREPARATION OF DI-CATION ETHERS EASTMAN KODAK CO (US) 1994-04-13 EP disclosed
US-5110937-A PREPARATION OF DI-CATION ETHERS EASTMAN KODAK COMPANY (US) 1992-05-05 US disclosed