SCHEMBL22298166

SCHEMBL22298166

CCC(C)(CC)CCCn1c2ccccc2c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
RORA P35398 1/20 0.49
RORC P51449 1/20 0.49
RORB Q92753 1/20 0.49
FABP4 P15090 2/20 0.47
FABP5 Q01469 2/20 0.47
MAOA P21397 9/20 0.47
MAOB P27338 9/20 0.47
GRIN1 Q05586 8/20 0.47
GRIN2A Q12879 8/20 0.47
GRIN2B Q13224 8/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
HRH1 P35367 1/20 0.47
ACHE P22303 2/20 0.46
SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL18014692 0.84 FABP4 (0.51) PGRRORARORCRORBFABP4
SCHEMBL29531665 0.77 PGR (0.73) PGRRORARORCRORBFABP4
SCHEMBL1335135 0.77 PGR (0.73) PGRRORARORCRORBFABP4
SCHEMBL4552166 0.77 FABP4 (0.64) PGRRORARORCRORBFABP4
SCHEMBL4552481 0.77 FABP4 (0.68) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL4729150 0.77 FABP4 (0.51) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL278343 0.76 PGR (0.66) PGRRORARORCRORBFABP4
SCHEMBL5181736 0.75 MAOA (0.69) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL10063551 0.75 MAOA (0.69) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL6338101 0.75 MAOA (0.69) FABP4FABP5MAOAMAOBGRIN1

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
EP-3444124-B1 METHOD OF MAKING A FUNCTIONALIZED ELASTOMER GOODYEAR TIRE & RUBBER (US) 2020-08-05 EP disclosed