SCHEMBL5213356

SCHEMBL5213356

OCC1CSC(c2ccccc2C2SCC(CO)S2)S1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL11795447 0.90 MEN1 (0.43) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL5205512 0.87 HTR1A (0.36) MEN1MAPTKMT2ANPSR1
SCHEMBL28748700 0.87 ALDH1A1 (0.35) ALDH1A1POLBHPGD
SCHEMBL5207532 0.86 HTR2C (0.30)
SCHEMBL6862831 0.85 KDM1A (0.39) MAPT
SCHEMBL6862816 0.83 SLC18A3 (0.34) ALDH1A1
SCHEMBL5212503 0.80 GABRP (0.37) ALDH1A1
SCHEMBL11792377 0.79 ALDH1A1 (0.30) ALDH1A1POLBHPGD
SCHEMBL6864202 0.78 KDM1A (0.36)
SCHEMBL6606477 0.77

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