SCHEMBL5205512

SCHEMBL5205512

OCC1CSC(c2ccccc2Oc2ccccc2C2SCC(CO)S2)S1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
LMNA P02545 2/20 0.32
KDM1A O60341 2/20 0.31
HTR2C P28335 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL5213356 0.87 ALDH1A1 (0.30) MAPTNPSR1MEN1KMT2A
SCHEMBL11795447 0.81 MEN1 (0.43) HTR2CMAPTNPSR1MEN1KMT2A
SCHEMBL11792368 0.80 ACHE (0.41) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL28748700 0.78 ALDH1A1 (0.35)
SCHEMBL5207532 0.78 HTR2C (0.30) HTR2C
SCHEMBL6862831 0.77 KDM1A (0.39) SLC6A2SLC6A4SLC6A3KDM1AMAPT
SCHEMBL5209896 0.76 THRB (0.35) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL5209563 0.76 LMNA (0.31) LMNA
SCHEMBL6862816 0.75 SLC18A3 (0.34) KDM1AMMP1MMP2MMP3MMP7
SCHEMBL6864599 0.73 MMP9 (0.47) KDM1ANPSR1MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100344623-C Acrylic esters compound and use thereof MITSUI CHEMCIALS INC (JP) 2007-10-24 CN disclosed
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
CN-1462272-A Acrylate compound and use thereof MITSUI CHEMCIALS INC (JP) 2003-12-17 CN disclosed