SCHEMBL6777451

SCHEMBL6777451

C=Cc1ccc(CCC(=O)OCC)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.68
CYP4A11 Q02928 2/20 0.68
CYP4Z1 Q86W10 3/20 0.57
CYP4F11 Q9HBI6 1/20 0.48
CYP4F12 Q9HCS2 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
EPHX2 P34913 1/20 0.43
ALOX5 P09917 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
MITF O75030 1/20 0.42
ABCB1 P08183 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL23204169 0.89 CYP4Z1 (0.60) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL68902 0.88 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL28351306 0.85 CYP4F2 (0.49) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL349384 0.85 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL6783435 0.84 CYP4F2 (0.49) CYP4F2CYP4A11TDP1THRB
SCHEMBL13458248 0.83 CYP4Z1 (0.55) CYP4F2CYP4A11CYP4Z1LMNAMAPT
SCHEMBL14732609 0.83 CYP4F2 (0.46) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL11437256 0.82 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL10206072 0.82 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL363982 0.82 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed