SCHEMBL7609196

SCHEMBL7609196

CC(C)=CCCC(C)CCCC(C)=COC(=O)OCCOCCOC(=O)OC=C(C)CCCC(C)CCC=C(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.49
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.37
EPHX2 P34913 1/20 0.36
NFE2L2 Q16236 1/20 0.33
PTPN2 P17706 1/20 0.33
CDC25B P30305 1/20 0.33
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
SCHEMBL7609192 1.00 ALOX15 (0.49) ALOX15PTPN1ALDH1A1USP2EPHX2
SCHEMBL6567574 0.83 ALOX15 (0.54) ALOX15PTPN1ALDH1A1USP2EPHX2
SCHEMBL6567580 0.83 ALOX15 (0.54) ALOX15PTPN1ALDH1A1USP2EPHX2
SCHEMBL7606685 0.82 ALDH1A1 (0.47) ALOX15ALDH1A1
SCHEMBL7606681 0.82 ALDH1A1 (0.47) ALOX15ALDH1A1
SCHEMBL7899335 0.81 ALOX15 (0.49) ALOX15PTPN1ALDH1A1USP2EPHX2
SCHEMBL7899333 0.81 ALOX15 (0.49) ALOX15PTPN1ALDH1A1USP2EPHX2
SCHEMBL6569564 0.80 ALOX15 (0.56) ALOX15PTPN1ALDH1A1USP2EPHX2
SCHEMBL6569562 0.80 ALOX15 (0.56) ALOX15PTPN1ALDH1A1USP2EPHX2
SCHEMBL6951114 0.80 ALOX15 (0.71) ALOX15ALDH1A1USP2EPHX2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887338-B1 Carbonates for the delivery of aldehydes and/or ketones GIVAUDAN SA (CH) 2002-10-09 EP claimed
EP-1223160-A2 Carbonates for the delivery of aldehydes and/or ketones Givaudan SA (CH) 2002-07-17 EP claimed
US-6232487-B1 FLAVORS, PERFUMES GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-05-15 US claimed
EP-0887338-A1 Carbonates for the delivery of aldehydes and/or ketones GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP claimed
EP-0887338-B1 Carbonates for the delivery of aldehydes and/or ketones GIVAUDAN SA (CH) 2002-10-09 EP disclosed
EP-1223160-A2 Carbonates for the delivery of aldehydes and/or ketones Givaudan SA (CH) 2002-07-17 EP disclosed
US-6232487-B1 FLAVORS, PERFUMES GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-05-15 US disclosed
EP-0887338-A1 Carbonates for the delivery of aldehydes and/or ketones GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed