SCHEMBL13736951

SCHEMBL13736951

CC1=C(C)CC(CCC(C)(C)O)=C(CCc2nccs2)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.31
CYP2D6 P10635 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL1144347 0.74 ALOX15 (0.35) FDPS
SCHEMBL3663523 0.69 ALDH1A1 (0.37) FDPS
SCHEMBL8671012 0.69 FDPS (0.47) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL6770012 0.68 FDPS (0.38) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL2093647 0.68 FDPS (0.42) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL24248595 0.67 FDPS (0.37) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL14003706 0.64 FDPS (0.35) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL3432945 0.64 LTB4R (0.39) FDPS
SCHEMBL17295659 0.64 HDAC1 (0.39) FDPS
SCHEMBL8997963 0.63 FDPS (0.41) FDPSCYP2D6CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2701695-A2 NEURODEGENERATIVE DISORDERS AND MUSCLE DISEASES IMPLICATING PUFAS Retrotope, Inc. (US) 2014-03-05 EP disclosed
EP-2701697-A2 OXIDATIVE RETINAL DISEASES Retrotope, Inc. (US) 2014-03-05 EP disclosed
EP-2701698-A2 DISORDERS IMPLICATING PUFA OXIDATION Retrotope, Inc. (US) 2014-03-05 EP disclosed
EP-2701696-A2 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY Retrotope, Inc. (US) 2014-03-05 EP disclosed
WO-2012148927-A2 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY RETROTOPE, INC. (US) 2012-11-01 WO disclosed
WO-2012148926-A2 NEURODEGENERATIVE DISORDERS AND MUSCLE DISEASES IMPLICATING PUFAS RETROTOPE, INC. (US) 2012-11-01 WO disclosed
WO-2012148929-A2 DISORDERS IMPLICATING PUFA OXIDATION RETROTOPE, INC. (US) 2012-11-01 WO disclosed
WO-2012148930-A2 OXIDATIVE RETINAL DISEASES RETROTOPE, INC. (US) 2012-11-01 WO disclosed