SCHEMBL2353940

SCHEMBL2353940

COc1cccc(Oc2ccc3c(c2)S(=O)(=O)CCC3C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.48
MTNR1B P49286 8/20 0.43
MTNR1A P48039 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ADRA1D P25100 1/20 0.41
SLC10A2 Q12908 1/20 0.40
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PGR P06401 2/20 0.37
GALR1 P47211 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL2353944 0.92 GRIA2 (0.44) GRIA2MTNR1BMTNR1ASMN1; SMN2ADRA1D
SCHEMBL2353218 0.92 ADRA1D (0.46) GRIA2ADRA1DSLC10A2KDM4EPOLB
SCHEMBL2353968 0.89 GRIA2 (0.47) GRIA2ADRA1DPOLB
SCHEMBL2357409 0.86 GRIA2 (0.35) GRIA2SMN1; SMN2ADRA1DSLC10A2KDM4E
SCHEMBL2352846 0.83 ADRA1D (0.42) GRIA2ADRA1DSLC10A2
SCHEMBL2351722 0.83 MAOA (0.35) GRIA2ADRA1D
SCHEMBL2354007 0.76 MMP2 (0.46) MTNR1BMTNR1ASMN1; SMN2ADRA1DNPC1
SCHEMBL2354383 0.75 CA1 (0.36) GRIA2SMN1; SMN2ADRA1DGALR1
SCHEMBL2222984 0.74 SMN1; SMN2 (0.44) GRIA2MTNR1BMTNR1ASMN1; SMN2KDM4E
SCHEMBL2355589 0.72 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 1 patent. 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 disclosed