SCHEMBL7518566

SCHEMBL7518566

CC(C)(C)OC(=O)N1C(C(=O)O)CCCN1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.38
EPHX1 P07099 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PREP P48147 1/20 0.36
UCHL1 P09936 1/20 0.36

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
SCHEMBL6509973 0.83 HSD17B10 (0.50) HSD17B10SMN1; SMN2RAB9ALMNAHPGD
SCHEMBL1330352 0.83 HSD17B10 (0.50) HSD17B10SMN1; SMN2RAB9ALMNAHPGD
SCHEMBL9386894 0.83 HSD17B10 (0.50) HSD17B10SMN1; SMN2RAB9ALMNAHPGD
SCHEMBL29985720 0.79 HSD17B10 (0.49) HSD17B10SMN1; SMN2RAB9ALMNAHPGD
SCHEMBL6219872 0.78 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9ALMNACYP2C19
SCHEMBL85536 0.78 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9ALMNACYP2C19
SCHEMBL67044 0.78 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9ALMNACYP2C19
SCHEMBL67045 0.78 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9ALMNACYP2C19
SCHEMBL27877016 0.78 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9ALMNACYP2C19
SCHEMBL14913989 0.76 HSD17B10 (0.43) HSD17B10SMN1; SMN2HPGDEPHX1MAPT

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-2001079177-A1 CYCLIC DIAZA COMPOUNDS FOR TREATING NEURODEGENERATIVE DISORDERS GPI NIL HOLDINGS, INC. (US) 2001-10-25 WO disclosed