SCHEMBL8947182

SCHEMBL8947182

CCOC(=O)CCn1nnnc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.65
ALDH1A1 P00352 5/20 0.57
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
HDAC6 Q9UBN7 1/20 0.49
CYP19A1 P11511 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL8947145 0.92 HSD11B1 (0.59) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL8947132 0.91 HSD11B1 (0.57) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL8947294 0.86 MAPK1 (0.61) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL408080 0.83 HSD11B1 (0.72) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL8947202 0.83 HSD11B1 (0.76) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL10972067 0.80 HSD11B1 (0.60) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL5593165 0.79 HSD11B1 (1.00) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL10969221 0.78 HSD11B1 (0.57) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL4408289 0.78 ALDH1A1 (0.71) HSD11B1ALDH1A1HTTPOLBHDAC6
SCHEMBL8921457 0.77 MAPK1 (0.53) HSD11B1ALDH1A1POLBTSHRMAPT

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
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed