SCHEMBL6253261

SCHEMBL6253261

C=CCC1(C2=CCCC2)CCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL6246587 0.92 GRIN2D (0.35) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6247703 0.81 HCAR3 (0.33) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6251171 0.79 GRIN2D (0.44) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6249024 0.76 CYP19A1 (0.33) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6250029 0.75 CYP19A1 (0.34) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20277873 0.75 CYP19A1 (0.41) CYP19A1
SCHEMBL512776 0.73 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6247800 0.73 CYP19A1 (0.36) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5550605 0.72 GRIN2D (0.38) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL9301017 0.72 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-6548474-B1 2-cylopentylidenecyclopentan-1-one, 2-cyclohexylidenecyclohexan-1-one, 2-cyclopentylidenecyclohexan-1-one, 2-cyclohexylidenecyclopentan-1-one and derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-04-15 US claimed
EP-0967265-A2 Disubstituted cycloalkanones as fragrance materials Takasago Institute For Interdisciplinary Science Inc. (US) 1999-12-29 EP claimed
EP-0967265-B1 Disubstituted cycloalkanones as fragrance materials TAKASAGO INTERNAT CORP USA (US) 2005-08-17 EP disclosed
US-6548474-B1 2-cylopentylidenecyclopentan-1-one, 2-cyclohexylidenecyclohexan-1-one, 2-cyclopentylidenecyclohexan-1-one, 2-cyclohexylidenecyclopentan-1-one and derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-04-15 US disclosed
JP-2000034493-A DISUBSTITUTED CYCLOALKANONE AS PERFUME TAKASAGO INTERNATL CORP 2000-02-02 JP disclosed
EP-0967265-A2 Disubstituted cycloalkanones as fragrance materials Takasago Institute For Interdisciplinary Science Inc. (US) 1999-12-29 EP disclosed