SCHEMBL9791012

SCHEMBL9791012

CN(O)C(=O)C=Cc1ccccc1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.51
ALOX5 P09917 2/20 0.49
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPRC P08575 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL9791006 1.00 NPY2R (0.51) NPY2RALOX5KMT2AL3MBTL1PTPRC
SCHEMBL9791169 0.88 ALOX5 (0.48) NPY2RALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9790977 0.85 ALOX5 (0.45) NPY2RALOX5KMT2APTGS1PTGS2
SCHEMBL9791205 0.83 ALOX5 (0.45) NPY2RALOX5KMT2APTGS2ALDH1A1
SCHEMBL9791105 0.81 ALOX5 (0.49) ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9791218 0.80 ALOX5 (0.48) ALOX5PTGS1PTGS2
SCHEMBL9791045 0.80 ALOX5 (0.48) ALOX5KMT2APTGS2
SCHEMBL9791043 0.80 ALOX5 (0.48) ALOX5KMT2APTGS2
SCHEMBL3363365 0.80 ALOX5 (0.73) ALOX5PTGS1PTGS2
SCHEMBL3363362 0.80 ALOX5 (0.73) ALOX5PTGS1PTGS2

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-5028629-A 2-(Substituted)-N-Hydroxy-N-Alkylcinnamamides ELI LILLY AND COMPANY (US) 1991-07-02 US claimed
US-5028629-A 2-(Substituted)-N-Hydroxy-N-Alkylcinnamamides ELI LILLY AND COMPANY (US) 1991-07-02 US disclosed