SCHEMBL8947162

SCHEMBL8947162

CCOC(=O)Cn1nnnc1-c1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
MAPK14 Q16539 1/20 0.41
SETD7 Q8WTS6 1/20 0.41

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
SCHEMBL8947327 0.85 HPGD (0.60) HPGDMAPK1ALDH1A1NPC1TSHR
SCHEMBL8947156 0.80 MAPK1 (0.60) HPGDMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL8947157 0.79 MAPK1 (0.53) HPGDMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL8947294 0.78 MAPK1 (0.61) HPGDMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL8947337 0.76 MAPK1 (0.50) HPGDMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL8947317 0.72 ALDH1A1 (0.57) HPGDMAPK1KDM4EALDH1A1CNR2
SCHEMBL8947128 0.70 MAPK1 (0.53) HPGDMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL8118104 0.70 MAPK1 (0.53) HPGDMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL8947240 0.69 ALDH1A1 (0.54) HPGDMAPK1KDM4EALDH1A1HSD17B10
SCHEMBL8947152 0.69 ALDH1A1 (0.50) HPGDMAPK1ALDH1A1HSD17B10CNR2

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