SCHEMBL20558459

SCHEMBL20558459

CC(C)(C)OC(=O)N1CCCC[C@H]1C1(CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
PDE8B O95263 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL24693398 1.00 HSD11B1 (0.41) HSD11B1KDM1AALDH1A1HSD17B10HPGD
SCHEMBL28526333 0.96 HSD17B10 (0.44) HSD11B1ALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL28526303 0.96 HSD17B10 (0.44) HSD11B1ALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL31299297 0.92 ALDH1A1 (0.40) HSD11B1KDM1AALDH1A1HSD17B10HPGD
SCHEMBL30782216 0.90 HSD11B1 (0.39) HSD11B1KDM1AALDH1A1HSD17B10HPGD
SCHEMBL25970274 0.81 HSD17B10 (0.46) HSD11B1KDM1AALDH1A1HSD17B10HPGD
SCHEMBL25983994 0.80 HSD17B10 (0.45) HSD11B1KDM1AALDH1A1HSD17B10HPGD
SCHEMBL25334904 0.79 HSD17B10 (0.44) HSD11B1KDM1AALDH1A1HSD17B10HPGD
SCHEMBL31031016 0.78 ALDH1A1 (0.38) HSD11B1KDM1AALDH1A1SMN1; SMN2TSHR
SCHEMBL22725293 0.78 HSD17B10 (0.48) HSD11B1ALDH1A1HSD17B10HPGDSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018205948-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-11-15 WO disclosed