SCHEMBL18937726

SCHEMBL18937726

CCCCN1CC=C(c2ccc(OF)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.52
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
HTR6 P50406 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL18936739 0.87 SIGMAR1 (0.66) SIGMAR1PARP1MEN1KMT2APPARG
SCHEMBL8575395 0.84 SIGMAR1 (0.62) SIGMAR1PARP1MEN1KMT2ADRD2
SCHEMBL11938943 0.81 SIGMAR1 (0.65) SIGMAR1PPARGPPARAHTR6DRD2
SCHEMBL14601668 0.81 SIGMAR1 (0.60) SIGMAR1
SCHEMBL18937725 0.78 SIGMAR1 (0.45) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL10254250 0.77 SIGMAR1 (0.52) SIGMAR1HTR6
SCHEMBL14438052 0.77 PPARG (0.51) SIGMAR1MEN1KMT2APPARGPPARA
SCHEMBL4237702 0.77 SIGMAR1 (0.54) SIGMAR1KMT2ADRD2
SCHEMBL256663 0.77 SIGMAR1 (0.63) SIGMAR1PARP1
SCHEMBL18937710 0.76 SIGMAR1 (0.43) SIGMAR1PARP1PPARGPPARAS1PR1

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-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed