SCHEMBL17976872

SCHEMBL17976872

CC1=CCC(C(C)CC2CCCC2=O)CC1.CCOCOC1CCCCCCCCCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32

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
SCHEMBL119790 0.84 NPC1 (0.38) PTPN1
SCHEMBL1427225 0.84 NPC1 (0.38) PTPN1
SCHEMBL27214521 0.84 NPC1 (0.38) PTPN1
SCHEMBL27231331 0.84 NPC1 (0.38) PTPN1
SCHEMBL27214519 0.84 NPC1 (0.38) PTPN1
SCHEMBL27231041 0.84 NPC1 (0.38) PTPN1
SCHEMBL27214520 0.84 NPC1 (0.38) PTPN1
SCHEMBL901072 0.84 NPC1 (0.38) PTPN1
SCHEMBL16269456 0.73 NPC1 (0.36) PTPN1
SCHEMBL14861496 0.72 PTGS1 (0.35)

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
EP-2812316-B1 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES KAO CORP (JP) 2016-08-17 EP claimed