SCHEMBL3272236

SCHEMBL3272236

COc1cc(CC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
PTPN1 P18031 3/20 0.46
PTGS1 P23219 1/20 0.46
PDE4A P27815 1/20 0.46
SNCA P37840 1/20 0.46
PDE3A Q14432 1/20 0.46
IMPDH2 P12268 3/20 0.43
PTPN2 P17706 1/20 0.37
CDC25B P30305 1/20 0.37
APP P05067 1/20 0.36
PSEN1 P49768 1/20 0.35

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
SCHEMBL7048351 0.87 PTPN1 (0.51) TRPV1PTPN1PTGS1PDE4ASNCA
SCHEMBL7077134 0.87 PTPN1 (0.51) TRPV1PTPN1PTGS1PDE4ASNCA
SCHEMBL2138794 0.83 PTPN1 (0.50) TRPV1PTPN1PTGS1PDE4ASNCA
SCHEMBL14283790 0.81 PTGS1 (0.43) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL7143550 0.81 PTPN1 (0.52) TRPV1PTPN1PTGS1PDE4ASNCA
SCHEMBL7080800 0.81 TRPV1 (0.48) TRPV1PTPN1PTGS1PDE4ASNCA
SCHEMBL2166287 0.77 PTGS1 (0.45) TRPV1PTPN1PTGS1PDE4ASNCA
SCHEMBL16435130 0.77 PTPN1 (0.51) TRPV1PTPN1PTGS1PDE4ASNCA
SCHEMBL9356354 0.77 PTPN1 (0.51) TRPV1PTPN1PTGS1PDE4ASNCA
SCHEMBL9356348 0.77 PTPN1 (0.51) TRPV1PTPN1PTGS1PDE4ASNCA

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
EP-2573188-A2 Process for the production of fine chemicals Metanomics GmbH (DE) 2013-03-27 EP disclosed
EP-2194140-A2 Process for the production of fine chemicals Metanomics GmbH (DE) 2010-06-09 EP disclosed