SCHEMBL21367458

SCHEMBL21367458

C=CCC[C@H](C)NCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL23670138 0.80 SIGMAR1 (0.44) SIGMAR1HTTMEN1KMT2A
SCHEMBL23670137 0.80 SIGMAR1 (0.44) SIGMAR1HTTMEN1KMT2A
SCHEMBL21099705 0.75 SIGMAR1 (0.47) SIGMAR1HTTMEN1KMT2A
SCHEMBL8467849 0.75 SIGMAR1 (0.47) SIGMAR1HTTMEN1KMT2A
SCHEMBL23718504 0.75
SCHEMBL4314997 0.73 SLC6A4 (0.41)
SCHEMBL27513462 0.73
SCHEMBL25124144 0.71 ADH1B (0.31)
SCHEMBL21306585 0.71
Hydrochloric Acid SCHEMBL17396557 0.71 SLC6A4 (0.40)

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-20190282635-A1 COMPOSITION FOR INDUCING PROLIFERATION OR ACCUMULATION OF REGULATORY T CELLS THE UNIVERSITY OF TOKYO (JP) 2019-09-19 US disclosed