SCHEMBL28208702

SCHEMBL28208702

CCOC(=O)CCc1ccc(CCC(C)(C)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.66
CYP4A11 Q02928 2/20 0.66
CYP4Z1 Q86W10 3/20 0.52
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
POLB P06746 1/20 0.43
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
ABCB1 P08183 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
SCHEMBL68902 0.86 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL4888029 0.82 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL11437256 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL363982 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL10206072 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL879130 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL304455 0.80 CYP4F2 (0.74) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL4889211 0.80 CYP4F2 (0.80) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL22098222 0.80 CYP4F2 (1.00) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL5543917 0.80 CYP4F2 (0.74) CYP4F2CYP4A11CYP4Z1TDP1EPHX2

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
CN-107849488-A Compound with lily of the valley smell 弗门尼舍有限公司 2018-03-27 CN disclosed