SCHEMBL13405154

SCHEMBL13405154

COc1cc(CCNC(=O)C(O)Cc2ccc(C)cc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ALOX5 P09917 1/20 0.51
▸ OR51E2 Q9H255 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ NOX4 Q9NPH5 1/20 0.48
▸ TYR P14679 1/20 0.48
▸ ACHE P22303 1/20 0.48

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
SCHEMBL4367219 0.86 LMNA (0.56) LMNAMTNR1AMTNR1BALDH1A1ALOX5
SCHEMBL4367213 0.86 LMNA (0.56) LMNAMTNR1AMTNR1BALDH1A1ALOX5
SCHEMBL4372465 0.86 LMNA (0.56) LMNAMTNR1AMTNR1BALDH1A1ALOX5
SCHEMBL13883457 0.83 MTNR1A (0.60) LMNAMTNR1AMTNR1BALOX5OR51E2
SCHEMBL3251828 0.82 LMNA (0.55) LMNAALDH1A1THRBKMT2AGAA
SCHEMBL6418730 0.80 MTNR1A (0.66) LMNAMTNR1AMTNR1BALDH1A1ALOX5
SCHEMBL14432087 0.80 KMT2A (0.66) LMNAMTNR1AMTNR1BALDH1A1ALOX5
SCHEMBL4363542 0.78 GAA (0.55) MTNR1AMTNR1BALOX5OR51E2KMT2A
SCHEMBL4372703 0.78 GAA (0.55) MTNR1AMTNR1BALOX5OR51E2KMT2A
SCHEMBL4363659 0.78 GAA (0.55) MTNR1AMTNR1BALOX5OR51E2KMT2A

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-7700522-B2 α-Oxygenated or α-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2010-04-20 — — US disclosed
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