SCHEMBL18902833

SCHEMBL18902833

CCCCCC(c1ccc(SCCCC)cc1)c1cccc(C(C)(CCCCC)c2ccc(SCCCC)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CACNA1B Q00975 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PLK1 P53350 4/20 0.31
AR P10275 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL17811538 0.83 MAOA (0.47) MAOAMAOBSIGMAR1PLK1AR
SCHEMBL19754081 0.73 SIGMAR1 (0.42) SIGMAR1
SCHEMBL19308405 0.68 SIGMAR1 (0.37) SIGMAR1
SCHEMBL827203 0.68 SIGMAR1 (0.41) SIGMAR1
SCHEMBL8093324 0.66 SIGMAR1 (0.41) SIGMAR1
SCHEMBL8099732 0.66 SIGMAR1 (0.41) SIGMAR1
SCHEMBL8095795 0.66 SIGMAR1 (0.41) SIGMAR1
SCHEMBL8087655 0.66 SIGMAR1 (0.41) SIGMAR1
SCHEMBL8095635 0.66 SIGMAR1 (0.41) SIGMAR1
SCHEMBL8100525 0.66 SIGMAR1 (0.41) SIGMAR1

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-3024855-B1 POLYMERISATION INITIATORS TRINSEO EUROPE GMBH (CH) 2017-05-31 EP disclosed