SCHEMBL7606685

SCHEMBL7606685

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL7606681 1.00 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EATMPOLB
SCHEMBL7609196 0.82 ALOX15 (0.49) ALDH1A1ALOX15
SCHEMBL7609192 0.82 ALOX15 (0.49) ALDH1A1ALOX15
SCHEMBL7130951 0.81 ALDH1A1 (0.65) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL6569468 0.77 ALDH1A1 (0.58) ALDH1A1ALOX15KDM4EATMPOLB
SCHEMBL6569471 0.77 ALDH1A1 (0.58) ALDH1A1ALOX15KDM4EATMPOLB
SCHEMBL30657825 0.77 ALDH1A1 (0.58) ALDH1A1ALOX15KDM4EATMPOLB
SCHEMBL7907074 0.75 KDM4E (0.52) ALDH1A1ALOX15KDM4EATMPOLB
SCHEMBL7907073 0.75 KDM4E (0.52) ALDH1A1ALOX15KDM4EATMPOLB
SCHEMBL5077225 0.74 ALOX15 (0.59) ALDH1A1ALOX15KDM4EATMKMT2A

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