SCHEMBL2353944

SCHEMBL2353944

COc1ccc(Oc2ccc3c(c2)S(=O)(=O)CCC3C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.44
ADRA1D P25100 2/20 0.41
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SLC10A2 Q12908 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
LTA4H P09960 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
RYR2 Q92736 1/20 0.33
CA2 P00918 1/20 0.33

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 0.92 GRIA2 (0.48) GRIA2ADRA1DMTNR1AMTNR1BSLC10A2
SCHEMBL2353218 0.92 ADRA1D (0.46) GRIA2ADRA1DSLC10A2ABCC8KCNJ11
SCHEMBL2356821 0.91 GRIA2 (0.44) GRIA2ADRA1DSLC10A2ADAMTS5
SCHEMBL2351722 0.88 MAOA (0.35) GRIA2ADRA1D
SCHEMBL2352846 0.88 ADRA1D (0.42) GRIA2ADRA1DSLC10A2
SCHEMBL2353968 0.86 GRIA2 (0.47) GRIA2ADRA1D
SCHEMBL2357409 0.83 GRIA2 (0.35) GRIA2ADRA1DSLC10A2SMN1; SMN2
SCHEMBL2354007 0.81 MMP2 (0.46) ADRA1DMTNR1AMTNR1BSMN1; SMN2
SCHEMBL2354383 0.77 CA1 (0.36) GRIA2ADRA1DSMN1; SMN2CA2
SCHEMBL2355589 0.74 ADRA1D (0.40) GRIA2ADRA1DABCC8KCNJ11CA2

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