SCHEMBL19342170

SCHEMBL19342170

CC(C)(C)OC(=O)N1CCC(N)C(CC(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
NR1H2 P55055 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
USP30 Q70CQ3 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 2/20 0.39

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
SCHEMBL19331724 0.89 HPGD (0.43) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL12493100 0.87 HPGD (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL21748946 0.87 HPGD (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL12492477 0.87 HPGD (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL25568092 0.87 HPGD (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3084302 0.86 HPGD (0.41) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL13709116 0.86 EPHX1 (0.42) HPGDMEN1ALDH1A1MAPTKMT2A
Acetic Acid SCHEMBL17687614 0.86 HPGD (0.43) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3744107 0.86 NR1H2 (0.49) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3744110 0.86 NR1H2 (0.49) HPGDMEN1ALDH1A1MAPTKMT2A

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-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed