SCHEMBL8947140

SCHEMBL8947140

COC(=O)Cn1nnnc1-c1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
HTT P42858 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
PTGS2 P35354 1/20 0.45
TSHR P16473 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL8947317 0.93 ALDH1A1 (0.57) HSD11B1ALDH1A1HPGDTRPV1HTT
SCHEMBL8947240 0.89 ALDH1A1 (0.54) HSD11B1ALDH1A1HPGDTRPV1SMN1; SMN2
SCHEMBL5966725 0.87 ALDH1A1 (0.68) HSD11B1ALDH1A1HPGDTDP1HTT
SCHEMBL8947215 0.87 MGLL (0.56) HSD11B1ALDH1A1HPGDTRPV1HTT
SCHEMBL8947149 0.86 ALDH1A1 (0.51) HSD11B1ALDH1A1HPGDTRPV1HTT
SCHEMBL8947311 0.86 ALDH1A1 (0.57) HSD11B1ALDH1A1HPGDTRPV1HTT
SCHEMBL8947278 0.86 ALDH1A1 (0.70) HSD11B1ALDH1A1HPGDTRPV1PTGS2
SCHEMBL8947310 0.86 TRPV1 (0.63) HSD11B1ALDH1A1HPGDTRPV1HTT
SCHEMBL8947125 0.86 L3MBTL1 (0.48) HSD11B1ALDH1A1HPGDTRPV1TSHR
SCHEMBL5966689 0.86 TRPV1 (0.59) HSD11B1ALDH1A1HPGDTRPV1HTT

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