SCHEMBL8947161

SCHEMBL8947161

CCOC(=O)C(C)(C)n1nnnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP19A1 P11511 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
SLC5A1 P13866 2/20 0.43
SLC5A2 P31639 2/20 0.43
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 5/20 0.43
PIN1 Q13526 1/20 0.42
APP P05067 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.41
MMP8 P22894 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL8947286 0.82 PTGS2 (0.46) HSD11B1ALDH1A1POLBHTTTSHR
SCHEMBL4408728 0.78 ALDH1A1 (0.50) HSD11B1ALDH1A1POLBHTTTSHR
SCHEMBL9877609 0.75 SMN1; SMN2 (0.51) TP53ALDH1A1HTTTSHRMAPT
SCHEMBL8947294 0.73 MAPK1 (0.61) CYP19A1HSD11B1ALDH1A1POLBHTT
SCHEMBL8947258 0.72 MAPT (0.55) TP53ALOX12CYP19A1SLC5A1SLC5A2
SCHEMBL8947182 0.71 HSD11B1 (0.65) CYP19A1HSD11B1ALDH1A1POLBHTT
SCHEMBL12781922 0.70 MGLL (0.51) CYP19A1HSD11B1ALDH1A1POLBHTT
SCHEMBL25380972 0.69 FGFR3 (0.47) GABRA2GABRB2ALDH1A1PIN1TSHR
SCHEMBL8947145 0.69 HSD11B1 (0.59) CYP19A1HSD11B1ALDH1A1POLBHTT
SCHEMBL3100969 0.69 ALDH1A1 (0.51) TP53ALOX12SLC5A1SLC5A2HSD11B1

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