SCHEMBL10747014

SCHEMBL10747014

CCC(OC(C)=O)C1CCC(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
GRM1 Q13255 11/20 0.34
IDO1 P14902 1/20 0.32
CCRL2 O00421 1/20 0.32
SLC18A3 Q16572 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7671752 0.89 TSHR (0.42) TSHRIDO1CCRL2SLC18A3ALDH1A1
SCHEMBL13347443 0.82 TSHR (0.39) TSHRIDO1CCRL2SLC18A3ALDH1A1
SCHEMBL14088062 0.80 SHBG (0.43) TSHRIDO1ALDH1A1LMNA
SCHEMBL2380868 0.80 SHBG (0.43) TSHRIDO1ALDH1A1LMNA
SCHEMBL25074937 0.78 HSD11B1 (0.36) TSHRCCRL2SLC18A3ALDH1A1LMNA
SCHEMBL9998327 0.76 TSHR (0.34) TSHRIDO1CCRL2SLC18A3ALDH1A1
SCHEMBL7601645 0.76 GRM1 (0.32) TSHRGRM1
SCHEMBL28699078 0.72 TSHR (0.41) TSHRIDO1
SCHEMBL24588224 0.72 LMNA (0.35) TSHRLMNAHSD17B10
SCHEMBL20313255 0.71 SHBG (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4654167-A p-Alkoxycyclohexylalkanols and p-alkoxycyclohexylalkyl esters and their use as scents BASF AKTIENGESELLSCHAFT (DE) 1987-03-31 US disclosed