SCHEMBL6567574

SCHEMBL6567574

CC(=O)O/C=C(\C)CCCC(C)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.54
PTPN1 P18031 2/20 0.48
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.43
KDM1A O60341 1/20 0.37
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL6567580 1.00 ALOX15 (0.54) ALOX15PTPN1ALDH1A1USP2KDM1A
SCHEMBL7899335 0.90 ALOX15 (0.49) ALOX15PTPN1ALDH1A1USP2KDM1A
SCHEMBL7899333 0.90 ALOX15 (0.49) ALOX15PTPN1ALDH1A1USP2KDM1A
SCHEMBL7609192 0.83 ALOX15 (0.49) ALOX15PTPN1ALDH1A1USP2KDM1A
SCHEMBL6569564 0.83 ALOX15 (0.56) ALOX15PTPN1ALDH1A1USP2KDM1A
SCHEMBL6569562 0.83 ALOX15 (0.56) ALOX15PTPN1ALDH1A1USP2KDM1A
SCHEMBL7609196 0.83 ALOX15 (0.49) ALOX15PTPN1ALDH1A1USP2KDM1A
SCHEMBL11562930 0.81 PTPN1 (0.74) ALOX15PTPN1ALDH1A1USP2
SCHEMBL9578859 0.79 ALOX15 (0.57) ALOX15PTPN1ALDH1A1USP2KDM1A
SCHEMBL1472117 0.79 ALOX15 (0.57) ALOX15PTPN1ALDH1A1USP2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887336-B1 Precursor compounds GIVAUDAN SA (CH) 2004-01-07 EP disclosed
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
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-0887338-A1 Carbonates for the delivery of aldehydes and/or ketones GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed