SCHEMBL5209895

SCHEMBL5209895

OCC1CSC(Cc2cccc(CC3SCC(CO)S3)c2)S1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL5205815 0.86 MMP2 (0.33)
SCHEMBL5209778 0.83
SCHEMBL6607616 0.80 SLC11A2 (0.32)
SCHEMBL5211505 0.79 NOS1 (0.33)
SCHEMBL4647895 0.76 TMEM97 (0.35) ESR1ESR2GRIN2DGRIN3BGRIN1
SCHEMBL5208422 0.75 TMEM97 (0.30)
SCHEMBL5209402 0.74 THRB (0.33)
SCHEMBL5209616 0.73 ALDH1A1 (0.37)
SCHEMBL6600498 0.73 CRBN (0.32)
SCHEMBL2231659 0.71

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
EP-1388540-B1 ACRYLIC ESTERS AND USE THEREOF MITSUI CHEMICALS INC (JP) 2007-09-05 EP disclosed
EP-1388540-A1 ACRYLIC ESTERS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2004-02-11 EP disclosed