SCHEMBL10440587

SCHEMBL10440587

c1ccc(CC2(Cc3ccccc3)CCOC3(OCCCO3)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
LMNA P02545 1/20 0.30
KDM1A O60341 2/20 0.30
HTT P42858 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
Ammonia Solution, Strong SCHEMBL14691839 0.80 MAOA (0.48) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL8893055 0.77 MAOA (0.45) MAOAMAOBGAAOPRM1OPRK1
Ammonia Solution, Strong SCHEMBL14691766 0.75 MAOA (0.44) MAOAMAOBGAAOPRM1OPRK1
Ammonia Solution, Strong SCHEMBL4767628 0.74 MAOA (0.42) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL3906018 0.73 MAOA (0.39) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL14778755 0.72 MAOA (0.43) MAOAMAOBGAAMAPK1LMNA
SCHEMBL706405 0.70 MAOA (0.35) MAOAMAOBLMNAKDM1AHTT
SCHEMBL23611125 0.69 MAOA (0.48) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL27224878 0.69 MAOA (0.41) MAOAMAOBMAPK1OPRM1OPRK1
SCHEMBL14779392 0.69 MAPK1 (0.43) MAOAMAOBMAPK1OPRM1OPRK1

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-0393893-A1 Sulfonium compound and polymerisation initator comprising the sulfonium compound as the main ingredient SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed