SCHEMBL27469899

SCHEMBL27469899

CC(C)OC(=O)c1ccc(CO)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.74
CYP4F2 P78329 1/20 0.74
CA12 O43570 4/20 0.63
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
CA7 P43166 4/20 0.63
CA9 Q16790 4/20 0.63
CA14 Q9ULX7 4/20 0.63
PDCD1 Q15116 1/20 0.58
CD274 Q9NZQ7 1/20 0.58
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.46

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
SCHEMBL13236273 0.86 CYP4F2 (0.71) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL701832 0.85 CA12 (0.83) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL3977225 0.85 CYP4A11 (1.00) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL27955902 0.83 CA12 (0.79) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL27647565 0.83 CA12 (0.79) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL27667912 0.83 CA12 (0.79) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL27668240 0.83 CA12 (0.79) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL27667911 0.83 CA12 (0.79) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL28761675 0.83 CA12 (0.79) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL27667932 0.83 CA12 (0.79) CYP4A11CYP4F2CA12CA1CA2

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
CN-1131201-C Method for preparing scenting compositions and scented products, and resulting products RHODIA CHEMIE (FR) 2003-12-17 CN disclosed
CN-1202881-A Process for preparing a perfuming composition and a perfumed product, and resulting product RHODIA CHIMIE SA (FR) 1998-12-23 CN disclosed