SCHEMBL7605705

SCHEMBL7605705

C/C(=C\OC(=O)OCc1ccccc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 1/20 0.43
NR4A2 P43354 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
NAAA Q02083 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESRRG P62508 1/20 0.39

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
SCHEMBL7605707 1.00 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1L3MBTL1MAPK1
SCHEMBL6567605 0.84 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1L3MBTL1MAPK1
SCHEMBL6567600 0.84 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1L3MBTL1MAPK1
SCHEMBL7607103 0.82 ESRRG (0.39) RAB9ANPC1L3MBTL1NR4A2RXRA
SCHEMBL7607097 0.82 ESRRG (0.39) RAB9ANPC1L3MBTL1NR4A2RXRA
SCHEMBL7607896 0.80 SMN1; SMN2 (0.39) L3MBTL1NR4A2RXRARXRBSMN1; SMN2
SCHEMBL7607903 0.80 SMN1; SMN2 (0.39) L3MBTL1NR4A2RXRARXRBSMN1; SMN2
SCHEMBL7899338 0.80 POLB (0.47) ALDH1A1RAB9ANPC1L3MBTL1RXRA
SCHEMBL7899340 0.80 POLB (0.47) ALDH1A1RAB9ANPC1L3MBTL1RXRA
SCHEMBL5186509 0.80 SMN1; SMN2 (0.43) ALDH1A1RAB9ANPC1L3MBTL1NR4A2

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-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
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