SCHEMBL11437256

SCHEMBL11437256

CCOC(=O)CCc1ccc(CCCc2ccc(CCC(=O)OCC)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.77
CYP4A11 Q02928 3/20 0.77
CYP4Z1 Q86W10 3/20 0.59
CYP4F11 Q9HBI6 1/20 0.56
CYP4F12 Q9HCS2 1/20 0.56
ALOX5 P09917 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
EPHX2 P34913 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL68902 0.94 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL6286441 0.93 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL6288506 0.91 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL363982 0.89 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL879130 0.89 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL10206072 0.89 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL4889211 0.87 CYP4F2 (0.80) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL1587300 0.87 CYP4F2 (0.74) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL304455 0.87 CYP4F2 (0.74) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL22098222 0.87 CYP4F2 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4232042-A Di-Carboxylic acid derivatives AKZONA INCORPORATED (US) 1980-11-04 US disclosed