SCHEMBL7607103

SCHEMBL7607103

CC(=COC(=O)OCCOCCOC(=O)OC=C(C)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.39
ESRRB O95718 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 2/20 0.38
NR1H4 Q96RI1 5/20 0.36
EPHX2 P34913 3/20 0.36
SLC13A5 Q86YT5 2/20 0.35
NR4A2 P43354 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
ACACB O00763 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NLRP3 Q96P20 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7607097 1.00 ESRRG (0.39) ESRRGESRRBLMNASMN1; SMN2MAPT
SCHEMBL8537347 0.89 ESRRG (0.36) ESRRGESRRBLMNASMN1; SMN2MAPT
SCHEMBL8537345 0.89 ESRRG (0.36) ESRRGESRRBLMNASMN1; SMN2MAPT
SCHEMBL7607896 0.87 SMN1; SMN2 (0.39) LMNASMN1; SMN2MAPTNR1H4EPHX2
SCHEMBL7607903 0.87 SMN1; SMN2 (0.39) LMNASMN1; SMN2MAPTNR1H4EPHX2
SCHEMBL7605705 0.82 ALDH1A1 (0.46) ESRRGLMNASMN1; SMN2NR1H4NR4A2
SCHEMBL7605707 0.82 ALDH1A1 (0.46) ESRRGLMNASMN1; SMN2NR1H4NR4A2
SCHEMBL5494077 0.82 SMN1; SMN2 (0.43) ESRRGESRRBLMNASMN1; SMN2MAPT
SCHEMBL5186509 0.82 SMN1; SMN2 (0.43) ESRRGESRRBLMNASMN1; SMN2MAPT
SCHEMBL5186521 0.82 SMN1; SMN2 (0.43) ESRRGESRRBLMNASMN1; SMN2MAPT

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