SCHEMBL29148491

SCHEMBL29148491

CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C(=O)O)nc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.49
BRD4 O60885 1/20 0.46
BTK Q06187 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GPR119 Q8TDV5 2/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDH1 O75874 1/20 0.44
PARP1 P09874 1/20 0.42
PIK3CD O00329 1/20 0.42
TRPV3 Q8NET8 1/20 0.42

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
SCHEMBL30849213 0.91 ALDH1A1 (0.47) USP30BRD4BTKHDAC4HDAC6
SCHEMBL29148533 0.90 USP30 (0.48) USP30BRD4BTKHDAC4HDAC6
SCHEMBL29148532 0.90 USP30 (0.48) USP30BRD4BTKHDAC4HDAC6
SCHEMBL30849217 0.90 USP30 (0.48) USP30BRD4BTKHDAC4HDAC6
SCHEMBL23236043 0.81 BTK (0.51) USP30BRD4BTKHDAC4HDAC6
SCHEMBL23236044 0.81 BTK (0.51) USP30BRD4BTKHDAC4HDAC6
SCHEMBL31487164 0.80 GPR119 (0.47) USP30GPR119PIK3CDTRPV3
SCHEMBL23236225 0.78 BTK (0.47) USP30BTKHDAC4HDAC6ALDH1A1
SCHEMBL23236228 0.78 BTK (0.47) USP30BTKHDAC4HDAC6ALDH1A1
SCHEMBL29364363 0.77 BTK (0.49) USP30BRD4BTKHDAC4HDAC6

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
CN-117447449-A PARP1 inhibitor and application thereof 南京圣和药业股份有限公司 2024-01-26 CN disclosed