SCHEMBL8947249

SCHEMBL8947249

CC(C)OC(=O)Cn1nnnc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD11B1 P28845 3/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL5966689 0.85 TRPV1 (0.59) KMT2AHSD11B1ALDH1A1POLBHTT
SCHEMBL8947294 0.83 MAPK1 (0.61) MEN1KMT2AHSD11B1ALDH1A1POLB
SCHEMBL8947310 0.82 TRPV1 (0.63) KMT2AHSD11B1ALDH1A1POLBHTT
SCHEMBL5966693 0.79 ALDH1A1 (0.74) HSD11B1ALDH1A1POLBHTTHPGD
SCHEMBL5328279 0.79 ALDH1A1 (0.54) HSD11B1ALDH1A1POLBHTTHPGD
SCHEMBL5966710 0.78 CYP1A2 (0.59) HSD11B1ALDH1A1POLBHTTHPGD
SCHEMBL9568925 0.78 ALDH1A1 (0.54) MEN1KMT2AHSD11B1ALDH1A1POLB
SCHEMBL12843973 0.78 MAPK1 (0.66) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL408079 0.77 HSD11B1 (0.56) HSD11B1ALDH1A1POLBHTTHPGD
SCHEMBL8947317 0.77 ALDH1A1 (0.57) KMT2AHSD11B1ALDH1A1POLBHTT

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