SCHEMBL2357565

SCHEMBL2357565

O=S1(=O)CCC(C2CC2)c2ccc(Oc3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 6/20 0.43
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GALR1 P47211 1/20 0.37
NPC1 O15118 1/20 0.37
SLC10A2 Q12908 1/20 0.36
PKM P14618 1/20 0.36
AKR1C3 P42330 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAOB P27338 1/20 0.35
KDM1A O60341 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ADRA1D P25100 1/20 0.34

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
SCHEMBL2353940 0.90 GRIA2 (0.48) GRIA2GALR1NPC1SLC10A2MTNR1A
SCHEMBL2353944 0.89 GRIA2 (0.44) GRIA2SLC10A2MTNR1AMTNR1BADRA1D
SCHEMBL2357409 0.88 GRIA2 (0.35) GRIA2GALR1SLC10A2ADRA1D
SCHEMBL2353968 0.88 GRIA2 (0.47) GRIA2FFAR1FFAR4ADRA1D
SCHEMBL2351722 0.88 MAOA (0.35) GRIA2MAOBADRA1D
SCHEMBL2352846 0.88 ADRA1D (0.42) GRIA2SLC10A2ADRA1D
SCHEMBL2353218 0.83 ADRA1D (0.46) GRIA2GALR1SLC10A2ADRA1D
SCHEMBL2354007 0.78 MMP2 (0.46) NPC1MTNR1AMTNR1BADRA1D
SCHEMBL2357167 0.76 ADRA1D (0.37) SLC10A2ADRA1D
SCHEMBL2355589 0.74 ADRA1D (0.40) GRIA2ADRA1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011083264-A1 THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-07-14 WO claimed
WO-2011083264-A1 THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-07-14 WO disclosed