SCHEMBL9982228

SCHEMBL9982228

COc1cccc2c1CCC(=O)C21CC2=CCC1C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.37
SRD5A1 P18405 3/20 0.36
SRD5A2 P31213 3/20 0.36
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
AADAT Q8N5Z0 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL9981745 0.84 ACHE (0.33) ACHE
SCHEMBL1739143 0.82
SCHEMBL9982452 0.82 PDK2 (0.31)
SCHEMBL9981851 0.82 DRD2 (0.36) ALDH1A1CYP3A4MAPTCHRM2CHRM1
SCHEMBL9982799 0.81 KDM1A (0.36)
SCHEMBL9982227 0.81
SCHEMBL9981286 0.81
SCHEMBL9981672 0.80 ALDH1A1 (0.34) ALDH1A1CYP3A4MAPT
SCHEMBL9982032 0.80 ALDH1A1 (0.37) ALDH1A1CYP3A4MAPT
SCHEMBL1739037 0.80

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-8211514-B2 Reverse dispersion retardation film and liquid crystal display device using the same JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-07-03 US disclosed