SCHEMBL6569562

SCHEMBL6569562

CC(C)=CCCC(C)CCC/C(C)=C/OC(=O)CCC(=O)OCCC(C)CCC=C(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.56
EPHX2 P34913 1/20 0.47
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.37
NFE2L2 Q16236 1/20 0.36
PTPN2 P17706 1/20 0.35
CDC25B P30305 1/20 0.35
KDM1A O60341 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
SCHEMBL6569564 1.00 ALOX15 (0.56) ALOX15EPHX2PTPN1ALDH1A1USP2
SCHEMBL7899333 0.92 ALOX15 (0.49) ALOX15EPHX2PTPN1ALDH1A1USP2
SCHEMBL7899335 0.92 ALOX15 (0.49) ALOX15EPHX2PTPN1ALDH1A1USP2
SCHEMBL6568238 0.90 ALOX15 (0.46) ALOX15EPHX2PTPN1ALDH1A1USP2
SCHEMBL6568241 0.90 ALOX15 (0.46) ALOX15EPHX2PTPN1ALDH1A1USP2
SCHEMBL10583022 0.87 ALOX15 (0.69) ALOX15EPHX2PTPN1ALDH1A1USP2
SCHEMBL22832776 0.85 ALOX15 (0.75) ALOX15EPHX2ALDH1A1USP2NFE2L2
SCHEMBL6567580 0.83 ALOX15 (0.54) ALOX15EPHX2PTPN1ALDH1A1USP2
SCHEMBL6567574 0.83 ALOX15 (0.54) ALOX15EPHX2PTPN1ALDH1A1USP2
SCHEMBL8840230 0.82 ALOX15 (0.71) ALOX15EPHX2PTPN1ALDH1A1USP2

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
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US claimed
EP-0887336-B1 Precursor compounds GIVAUDAN SA (CH) 2004-01-07 EP disclosed
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed