SCHEMBL2222649

SCHEMBL2222649

CC1=C(C)C(C)(CC=O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ HAO1 Q9UJM8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ APP P05067 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NR2E1 Q9Y466 1/20 0.32

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
SCHEMBL5142805 0.75 CYP1A2 (0.37) CYP1A2HAO1ALDH1A1CYP3A4TSHR
SCHEMBL29185785 0.72 RXRA (0.30) CYP1A2
SCHEMBL295385 0.69 — —
SCHEMBL29066461 0.68 — —
SCHEMBL28973645 0.68 CYP1A2 (0.36) CYP1A2HAO1ALDH1A1CYP3A4APP
SCHEMBL4495310 0.68 CYP1A2 (0.44) CYP1A2HAO1ALDH1A1CYP3A4TSHR
SCHEMBL29173984 0.67 — —
SCHEMBL881427 0.67 CYP1A2 (0.41) CYP1A2HAO1ALDH1A1CYP3A4TSHR
SCHEMBL11032915 0.67 SIRT2 (0.37) —
SCHEMBL20212044 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 — — WO disclosed
EP-2512527-A1 FRESHENING COMPOSITIONS COMPRISING MALODOR BINDING POLYMERS AND MALODOR CONTROL COMPONENTS The Procter & Gamble Company (US) 2012-10-24 — — EP disclosed
WO-2011084463-A1 FRESHENING COMPOSITIONS COMPRISING MALODOR BINDING POLYMERS AND MALODOR CONTROL COMPONENTS THE PROCTER & GAMBLE COMPANY (US) 2011-07-14 — — WO disclosed
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