SCHEMBL8330705

SCHEMBL8330705

CO[C@](C)(N)[C@@H](O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.52
LMNA P02545 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL30466713 0.81 AOC3 (0.52) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL411887 0.79 AOC3 (0.59) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL26025745 0.79 AOC3 (0.59) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL9577935 0.77 AOC3 (0.57) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL10772333 0.74 AOC3 (0.46) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL10451736 0.73 AOC3 (0.53) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL112589 0.73 AOC3 (0.57) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL9334567 0.73 AOC3 (0.57) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL477440 0.73 AOC3 (0.57) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL6464699 0.73 AOC3 (0.57) AOC3LMNAADRA2AADRA2CHIF1A

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-5856492-A N-HYDROXYHYDROCARBYL-N-HETEROCYCLE, REVERSE TRANSCRIPTASE INHIBITOR INTERMEDIATE MERCK & CO., INC. (US) 1999-01-05 US disclosed