SCHEMBL5572453

SCHEMBL5572453

CCC(C)C1CC=C(C(=O)CCC2CC2)CC1(C)C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.30
▸ GRIN2A Q12879 2/20 0.30
▸ GRIN2B Q13224 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL5573120 0.71 PTGS2 (0.32) PTGS1PTGS2
SCHEMBL5572376 0.68 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL5572379 0.66 BCHE (0.30) MAPTPTGS1PTGS2
SCHEMBL5572872 0.62 PTGS2 (0.32) MAPTPTGS1PTGS2
SCHEMBL11373913 0.61 FAAH (0.31) —
SCHEMBL5573184 0.59 S1PR1 (0.31) PTGS1PTGS2
SCHEMBL10711870 0.57 EPHA2 (0.43) MAPT
SCHEMBL26085406 0.57 MAPT (0.41) MAPT
SCHEMBL5568719 0.56 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL22526083 0.55 MAPT (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790630-B1 Derivatives of 3-cyclopropyl-1-propanone compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2014-01-08 — — EP claimed
EP-1790630-B1 Derivatives of 3-cyclopropyl-1-propanone compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2014-01-08 — — EP disclosed
EP-1790630-B1 Derivatives of 3-cyclopropyl-1-propanone compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2014-01-08 — — EP disclosed
EP-1790630-A1 Derivatives of 3-cyclopropyl-1-propanone compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-05-30 — — EP disclosed
EP-1790630-A1 Derivatives of 3-cyclopropyl-1-propanone compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-05-30 — — EP disclosed
US-7074967-B1 Derivatives of 3-cyclopropyl-1-propanone compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2006-07-11 — — US disclosed
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