SCHEMBL8566869

SCHEMBL8566869

O=C(O)C1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL6796053 0.91 HSP90AA1 (0.46) HSP90AA1NOS3NOS1NOS2TDP1
Hydrochloric Acid SCHEMBL10469678 0.90 HSP90AA1 (0.44) HSP90AA1NOS3NOS1NOS2TDP1
Hydrochloric Acid SCHEMBL10469680 0.90 HSP90AA1 (0.44) HSP90AA1NOS3NOS1NOS2TDP1
SCHEMBL11410683 0.82 MEN1 (0.45) HSP90AA1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6583708 0.82 CHRNB4 (0.49) HSP90AA1ALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL6583712 0.82 CHRNB4 (0.49) HSP90AA1ALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL394579 0.81 MEN1 (0.54) HSP90AA1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6795622 0.78 HSP90AA1 (0.44) HSP90AA1MEN1KMT2AALDH1A1LMNA
SCHEMBL10469676 0.78 HSP90AA1 (0.44) HSP90AA1MEN1KMT2AALDH1A1KDM4E
SCHEMBL11413161 0.78 GAA (0.47) HSP90AA1MEN1KMT2AALDH1A1KDM4E

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
US-5750567-A TETRAHYDRONAPHTHYL DERIVATIVES PHONE-POULENC RORER SA. (FR) 1998-05-12 US disclosed
US-4214093-A PROTEOLYTIC ENZYME INHIBITORS TORII & CO., LTD. (JP) 1980-07-22 US disclosed