SCHEMBL10587771

SCHEMBL10587771

CC1(C)CC(NS(=O)(=O)c2cccc(Cl)c2)c2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.49
PGR P06401 5/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
TRPV1 Q8NER1 4/20 0.40
STS P08842 1/20 0.40
KCNA5 P22460 1/20 0.39
PKM P14618 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL10584290 0.87 ALDH1A1 (0.44) TRPV1STSKCNA5EDNRA
SCHEMBL10589397 0.87 APP (0.44) TRPV1KCNA5
SCHEMBL10589903 0.86 PSEN1 (0.46) HTR1AHTR7TRPV1STSKCNA5
SCHEMBL10583842 0.81 FFAR4 (0.56) TRPV1KCNA5
SCHEMBL10594694 0.80 GAA (0.42) ABCC9PGRSIRT2SIRT1HTR1A
SCHEMBL10589777 0.80 APP (0.44) HTR1AHTR7TRPV1KCNA5
SCHEMBL10584603 0.79 KCNA5 (0.40) TRPV1STSKCNA5
SCHEMBL10587463 0.78 KCNA5 (0.52) TRPV1KCNA5
SCHEMBL10584607 0.78 STS (0.45) TRPV1STSKCNA5
SCHEMBL6559509 0.75 TRPV1 (0.45) TRPV1KCNA5

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-0315009-A2 Chroman derivatives, process for their preparation and their use in medicines BAYER AG (DE) 1989-05-10 EP disclosed