SCHEMBL6569468

SCHEMBL6569468

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ALOX15 P16050 3/20 0.58
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
MAPT P10636 2/20 0.47
UGT1A1 P22309 1/20 0.47
SQLE Q14534 1/20 0.45

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
SCHEMBL30657825 1.00 ALDH1A1 (0.58) ALDH1A1ALOX15KDM4EATMKMT2A
SCHEMBL6569471 1.00 ALDH1A1 (0.58) ALDH1A1ALOX15KDM4EATMKMT2A
SCHEMBL7907074 0.86 KDM4E (0.52) ALDH1A1ALOX15KDM4EATMKMT2A
SCHEMBL7907073 0.86 KDM4E (0.52) ALDH1A1ALOX15KDM4EATMKMT2A
SCHEMBL7894411 0.80 ALDH1A1 (0.57) ALDH1A1ALOX15KDM4EATMKMT2A
SCHEMBL30203198 0.78 ALOX15 (0.49) ALDH1A1ALOX15KDM4EATMKMT2A
SCHEMBL6567580 0.78 ALOX15 (0.54) ALDH1A1ALOX15
SCHEMBL6567574 0.78 ALOX15 (0.54) ALDH1A1ALOX15
SCHEMBL7606685 0.77 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EATMKMT2A
SCHEMBL27261275 0.76 ALDH1A1 (0.39) ALDH1A1ALOX15

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