SCHEMBL11258692

SCHEMBL11258692

CCCC1CCC(COC2CCC(c3ccccc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HCRTR2 O43614 13/20 0.44
DRD2 P14416 1/20 0.42
GPR119 Q8TDV5 2/20 0.41

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
SCHEMBL11258689 1.00 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11253811 0.90 HCRTR2 (0.41) CYP2C9HCRTR2DRD2GPR119
SCHEMBL11253813 0.90 HCRTR2 (0.41) CYP2C9HCRTR2DRD2GPR119
SCHEMBL11264298 0.89 HCRTR2 (0.46) HCRTR2DRD2GPR119
SCHEMBL11264295 0.89 HCRTR2 (0.46) HCRTR2DRD2GPR119
SCHEMBL11269085 0.89 HCRTR2 (0.41) MAPTHCRTR2DRD2GPR119
SCHEMBL11255478 0.89 HCRTR2 (0.41) MAPTHCRTR2DRD2GPR119
SCHEMBL11269066 0.89 HCRTR2 (0.41) MAPTHCRTR2DRD2GPR119
SCHEMBL11255481 0.89 HCRTR2 (0.41) MAPTHCRTR2DRD2GPR119
SCHEMBL13178770 0.87 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1

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-4361494-A Anisotropic cyclohexyl cyclohexylmethyl ethers BBC BROWN, BOVERI, & COMPANY, LIMITED (CH) 1982-11-30 US disclosed