SCHEMBL6566596

SCHEMBL6566596

CC(=O)O/C=C(\C)Cc1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
NLRP3 Q96P20 1/20 0.40
IDO1 P14902 2/20 0.40
POLB P06746 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ACACB O00763 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 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
SCHEMBL6566598 1.00 CNR2 (0.41) CNR2RXRARXRBNLRP3IDO1
SCHEMBL7899283 0.88 CNR2 (0.39) CNR2RXRARXRBNLRP3IDO1
SCHEMBL7899286 0.88 CNR2 (0.39) CNR2RXRARXRBNLRP3IDO1
SCHEMBL7905574 0.84 CNR2 (0.49) CNR2RXRARXRBRAB9ANPC1
SCHEMBL7907066 0.83 MAPT (0.41) CNR2RXRARXRBNLRP3HDAC3
SCHEMBL7907069 0.83 MAPT (0.41) CNR2RXRARXRBNLRP3HDAC3
SCHEMBL7609615 0.82 ACACB (0.36) CNR2RXRARXRBNLRP3IDO1
SCHEMBL7609584 0.82 ACACB (0.36) CNR2RXRARXRBNLRP3IDO1
SCHEMBL1785953 0.81 IDO1 (0.43) CNR2RXRARXRBNLRP3IDO1
SCHEMBL1785954 0.81 IDO1 (0.43) CNR2RXRARXRBNLRP3IDO1

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