SCHEMBL8024395

SCHEMBL8024395

C=CCOc1ccc(CCC(=O)OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
CYP4Z1 Q86W10 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
LTA4H P09960 2/20 0.43
THRB P10828 1/20 0.43
CYP4F11 Q9HBI6 1/20 0.43
CYP4F12 Q9HCS2 1/20 0.43

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
SCHEMBL11023299 0.85 ADRB2 (0.53) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL6448296 0.85 MAPT (0.50) CYP4Z1MEN1KMT2AMAPTPOLB
SCHEMBL12401878 0.83 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1MAPTLMNA
SCHEMBL16839694 0.83 LTA4H (0.53) KMT2AMAPTPOLBSMN1; SMN2NPC1
SCHEMBL8421528 0.82 SMN1; SMN2 (0.61) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL8417675 0.82 MEN1 (0.67) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL27458538 0.82 MEN1 (0.52) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL8568395 0.82 NPC1 (0.53) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL68902 0.81 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1MAPTLMNA
SCHEMBL12000868 0.81 CYP4F2 (0.64) CYP4F2CYP4A11CYP4Z1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040411-A Low glass temperature organosiloxanes CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-03-21 US disclosed
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
EP-0887399-A1 Silicones having a low glass transition temperature Consortium für elektrochemische Industrie GmbH (DE) 1998-12-30 EP disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed