SCHEMBL7965091

SCHEMBL7965091

COC[C@@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](N)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.40
AKR1B1 P15121 2/20 0.39
HTT P42858 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CACNA1C Q13936 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCC9 O60706 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL9767130 0.88 AKR1B1 (0.40) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL9767136 0.88 AKR1B1 (0.40) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL7961450 0.88 AKR1B1 (0.40) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL9767134 0.88 AKR1B1 (0.40) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL9195046 0.82 ABCC9 (0.44) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL9195025 0.82 ABCC9 (0.44) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL9195034 0.82 ABCC9 (0.44) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL8310989 0.81 HTT (0.40) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL6987633 0.81 HTT (0.39) TLR3AKR1B1HTTMAPTSMN1; SMN2
SCHEMBL4873739 0.81 HTT (0.39) TLR3AKR1B1HTTMAPTSMN1; SMN2

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-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed