SCHEMBL21851983

SCHEMBL21851983

CC(C)CC1(CO)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
NR1H2 P55055 1/20 0.39
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.38
EPHX2 P34913 1/20 0.38
ATM Q13315 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKLR P30613 1/20 0.37
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
DDB1 Q16531 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
SCHEMBL21918068 0.90 USP2 (0.43) USP2SMN1; SMN2TSHRALOX15NR1H2
SCHEMBL1880398 0.88 USP2 (0.51) USP2SMN1; SMN2TSHRALOX15NR1H2
SCHEMBL17143487 0.85 NR1H2 (0.41) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL345212 0.85 USP2 (0.41) USP2SMN1; SMN2TSHRALOX15HPGD
SCHEMBL345712 0.83 JAK2 (0.42) USP2SMN1; SMN2ALDH1A1MAPT
SCHEMBL12884306 0.83 USP2 (0.47) USP2SMN1; SMN2TSHRALOX15NR1H2
SCHEMBL21918070 0.82 USP2 (0.40) USP2SMN1; SMN2TSHRALOX15NR1H2
SCHEMBL23070921 0.82 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15NR1H2
SCHEMBL3158101 0.82 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15NR1H2
SCHEMBL16565814 0.82 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15NR1H2

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-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed