SCHEMBL11234880

SCHEMBL11234880

C(=CCC1CCCCCCCCCCC1)COCC=CCC1CCCCCCCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
CHRM5 P08912 2/20 0.30
CYP1A2 P05177 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL11896117 0.82 CYP1A2 (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11896116 0.82 CYP1A2 (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29860701 0.82 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9450354 0.78 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9450348 0.78 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22325464 0.76 PTGER2 (0.33)
SCHEMBL6988173 0.74 LMNA (0.35)
SCHEMBL28216071 0.74 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1815340 0.73 SIGMAR1 (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10366842 0.73 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7

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-0022460-B1 ALIPHATIC ETHERS OF HYDROXYMETHYLCYCLODODECANE AND THEIR UTILIZATION IN THE PREPARATION OF ODORANT COMPOSITIONS CHEMISCHE WERKE HÜLS AG (DE) 1982-11-24 EP claimed
US-4359588-A Odoriferous aliphatic ethers of hydroxymethylcyclododecane CHEMISCHE WERKE HUELS, AKTIENGESELLSCHAFT (DE) 1982-11-16 US claimed
EP-0022460-A1 Aliphatic ethers of hydroxymethylcyclododecane and their utilization in the preparation of odorant compositions CHEMISCHE WERKE HÜLS AG (DE) 1981-01-21 EP claimed
EP-0022460-B1 ALIPHATIC ETHERS OF HYDROXYMETHYLCYCLODODECANE AND THEIR UTILIZATION IN THE PREPARATION OF ODORANT COMPOSITIONS CHEMISCHE WERKE HÜLS AG (DE) 1982-11-24 EP disclosed
US-4359588-A Odoriferous aliphatic ethers of hydroxymethylcyclododecane CHEMISCHE WERKE HUELS, AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed
EP-0022460-A1 Aliphatic ethers of hydroxymethylcyclododecane and their utilization in the preparation of odorant compositions CHEMISCHE WERKE HÜLS AG (DE) 1981-01-21 EP disclosed