SCHEMBL27706017

SCHEMBL27706017

CCC(=O)OCCC1CCCCC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM5 P08912 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ FABP7 O15540 2/20 0.38
▸ FABP3 P05413 2/20 0.38
▸ FABP5 Q01469 2/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL27515302 0.84 HDAC8 (0.41) MAPTSLC6A2SLC6A4HDAC8HDAC6
SCHEMBL27483135 0.84 HDAC8 (0.41) HDAC8HDAC6HDAC1
SCHEMBL27467155 0.83 MDM2 (0.40) CHRM3
SCHEMBL17731122 0.75 MAPT (0.46) MAPTPKMHDAC8HDAC6HDAC1
SCHEMBL28635739 0.74 FABP5 (0.57) SLC6A2SLC6A4CHRM2CHRM4CHRM5
SCHEMBL28635740 0.74 FABP5 (0.57) SLC6A2SLC6A4CHRM2CHRM4CHRM5
SCHEMBL28644515 0.74 FABP5 (0.57) SLC6A2SLC6A4CHRM2CHRM4CHRM5
SCHEMBL23996149 0.73 AKR1C3 (0.48) CHRM4
SCHEMBL10671395 0.73 MEN1 (0.47) KCNQ3KCNQ2MEN1KMT2A
SCHEMBL10671392 0.73 MEN1 (0.47) KCNQ3KCNQ2MEN1KMT2A

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
CN-101146779-A Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AG (DE) 2008-03-19 — — CN disclosed
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