SCHEMBL7607903

SCHEMBL7607903

CCCCOC(=O)OC=C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HDAC6 Q9UBN7 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PDE4A P27815 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
RORC P51449 1/20 0.36
NR4A2 P43354 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL7607896 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTHDAC6KDM4E
SCHEMBL7607103 0.87 ESRRG (0.39) SMN1; SMN2LMNAMAPTNR4A2RXRA
SCHEMBL7607097 0.87 ESRRG (0.39) SMN1; SMN2LMNAMAPTNR4A2RXRA
SCHEMBL7605705 0.80 ALDH1A1 (0.46) SMN1; SMN2LMNANR4A2RXRARXRB
SCHEMBL7605707 0.80 ALDH1A1 (0.46) SMN1; SMN2LMNANR4A2RXRARXRB
SCHEMBL5494077 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTNR4A2RXRA
SCHEMBL5186509 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTNR4A2RXRA
SCHEMBL5186521 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTNR4A2RXRA
SCHEMBL28008272 0.78 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMAPTHDAC6KDM4E
SCHEMBL8537345 0.78 ESRRG (0.36) SMN1; SMN2LMNAMAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223160-A2 Carbonates for the delivery of aldehydes and/or ketones Givaudan SA (CH) 2002-07-17 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