SCHEMBL6856568

SCHEMBL6856568

CCOC(=O)CCCN(C)c1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
ALOX5 P09917 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 4/20 0.44
CYP4Z1 Q86W10 3/20 0.44
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
CYP1A2 P05177 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL14570550 0.86 SMN1; SMN2 (0.51) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL8993946 0.84 CYP1A2 (0.46) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL8993937 0.83 SMN1; SMN2 (0.63) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL20493705 0.82 KMT2A (0.46) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL22454703 0.81 L3MBTL1 (0.45) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL11226774 0.81 CYP4F2 (0.55) CYP4F2CYP4A11ALOX5LTA4HCYP4Z1
SCHEMBL11585892 0.80 CYP4F2 (0.50) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL22334798 0.80 CYP4F2 (0.65) CYP4F2CYP4A11ALOX5SMN1; SMN2CYP4Z1
SCHEMBL15704249 0.79 CYP4Z1 (0.48) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL8993953 0.79 CYP1A2 (0.45) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H

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-6828159-B1 Carbopyronine fluorescent dyes Drexhage, Karl-Heinz (DE) 2004-12-07 US disclosed