SCHEMBL11225908

SCHEMBL11225908

CC(C)OCC1CCCCCCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.44
SLC1A2 P43004 4/20 0.44
SLC1A1 P43005 4/20 0.44
SHBG P04278 1/20 0.37
CYP1A2 P05177 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.35
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL10274539 1.00 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1SHBGCYP1A2
SCHEMBL11965851 0.97 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1SHBGCYP1A2
SCHEMBL10136484 0.92
SCHEMBL18883524 0.87 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL12541302 0.87 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL13452 0.87
SCHEMBL18883522 0.87 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL23917983 0.83 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1
SCHEMBL17011560 0.81 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL7538121 0.81 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1SHBGCYP1A2

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