SCHEMBL13134305

SCHEMBL13134305

C=CC(=O)OCCSc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.53
HSD17B10 Q99714 1/20 0.52
GFER P55789 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 7/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
ALOX15 P16050 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7712533 0.80 THRB (0.56) HSD17B10POLBKMT2AHPGDALOX15
SCHEMBL13134273 0.77 THRB (0.55) HSD17B10MAPTMEN1KMT2ALMNA
SCHEMBL3746869 0.77 THRB (0.47) HSD17B10POLBMAPTMEN1KMT2A
SCHEMBL5184316 0.76 THRB (0.51) HSD17B10POLBKMT2AHPGDALOX15
SCHEMBL42562 0.75 THRB (0.58) HSD17B10MAPTMEN1KMT2AHPGD
SCHEMBL26936014 0.75 MAPT (0.55) POLBMAPTMEN1KMT2AHPGD
SCHEMBL10857234 0.75 STAT3 (0.61) STAT3HSD17B10GFERPOLBMAPT
SCHEMBL13134313 0.74 THRB (0.43) HSD17B10POLBMAPTMEN1KMT2A
SCHEMBL13134304 0.74 THRB (0.43) HSD17B10MAPTMEN1KMT2AHPGD
SCHEMBL8115720 0.74 STAT3 (0.59) STAT3HSD17B10GFERPOLBMAPT

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
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed