SCHEMBL9029586

SCHEMBL9029586

COc1cc(C=CC(=O)N2CCC(C(=O)O)CC2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.72
BCHE P06276 1/20 0.69
ACHE P22303 9/20 0.67
CYP1A2 P05177 1/20 0.60
ALOX5 P09917 1/20 0.60
CYP2D6 P10635 1/20 0.60
NFKB1 P19838 1/20 0.60
HSD11B1 P28845 1/20 0.60
STAT3 P40763 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
NFE2L2 Q16236 1/20 0.60
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
PKM P14618 1/20 0.59

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
SCHEMBL9029585 1.00 TRPV1 (0.72) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL9041751 0.88 TRPV1 (0.76) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL9041758 0.88 TRPV1 (0.76) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL2123701 0.88 TRPV1 (0.87) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL5029885 0.88 TRPV1 (0.87) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL2123698 0.88 TRPV1 (0.87) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL17327997 0.85 TRPV1 (0.97) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL9029032 0.84 TRPV1 (1.00) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL30887530 0.84 TRPV1 (1.00) TRPV1BCHEACHECYP1A2ALOX5
SCHEMBL9029039 0.84 TRPV1 (1.00) TRPV1BCHEACHECYP1A2ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed