SCHEMBL6085440

SCHEMBL6085440

[CH]=C[C@@H](O)CC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.32
TDO2 P48775 3/20 0.32
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
METAP2 P50579 2/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL8901183 0.98 IDO1 (0.34) IDO1TDO2PTGER4PTGER3PTGER2
SCHEMBL9575433 0.76 IDO1 (0.35) IDO1TDO2PTGER4PTGER3PTGER2
SCHEMBL9575583 0.74 IDO1 (0.37) IDO1TDO2PTGER4PTGER3PTGER2
SCHEMBL515453 0.74 ADH1B (0.40) PTGER4PTGER3PTGER2
SCHEMBL9575838 0.74 IDO1 (0.37) IDO1TDO2PTGER4PTGER3PTGER2
SCHEMBL10597079 0.74 IDO1 (0.37) IDO1TDO2PTGER4PTGER3PTGER2
SCHEMBL9450427 0.74 IDO1 (0.37) IDO1TDO2PTGER4PTGER3PTGER2
SCHEMBL11478862 0.73 PTGER4 (0.38) PTGER4PTGER3PTGER2
SCHEMBL11478856 0.73 PTGER4 (0.38) PTGER4PTGER3PTGER2
SCHEMBL8270831 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071359-B1 Neuropathy improvers containing nitrogenous compounds as the active ingredient TEIJIN LIMITED (JP) 2006-07-04 US disclosed
EP-1201235-B1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LTD (JP) 2005-10-12 EP disclosed
EP-1201235-A1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LIMITED (JP) 2002-05-02 EP disclosed