SCHEMBL18936739

SCHEMBL18936739

CCCCN1CC=C(c2ccc(OC)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.66
PARP1 P09874 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
HTR1A P08908 1/20 0.50
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
HTR6 P50406 1/20 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
SCHEMBL18937726 0.87 SIGMAR1 (0.52) SIGMAR1PARP1MEN1KMT2APPARG
SCHEMBL5536604 0.87 SIGMAR1 (0.65) SIGMAR1PARP1MEN1KMT2APPARG
SCHEMBL5541688 0.86 SIGMAR1 (0.67) SIGMAR1PARP1MEN1KMT2APPARG
SCHEMBL5539408 0.85 SIGMAR1 (0.62) SIGMAR1PARP1MEN1KMT2APPARG
SCHEMBL5536761 0.85 SIGMAR1 (0.65) SIGMAR1PARP1MEN1KMT2APPARG
SCHEMBL11823875 0.84 SIGMAR1 (0.60) SIGMAR1PARP1MEN1KMT2APPARG
SCHEMBL7306525 0.84 SIGMAR1 (0.61) SIGMAR1PARP1MEN1KMT2AHTR1A
SCHEMBL6367251 0.84 SIGMAR1 (0.61) SIGMAR1PARP1MEN1KMT2APPARG
Hydrochloric Acid SCHEMBL29662083 0.84 SIGMAR1 (0.56) SIGMAR1PARP1MEN1KMT2APPARG
SCHEMBL8575395 0.82 SIGMAR1 (0.62) SIGMAR1PARP1MEN1KMT2A

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