SCHEMBL28724715

SCHEMBL28724715

CN(CC(=O)OC(C)(C)C)C1CCOC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.33
CTSD P07339 2/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.32
S1PR1 P21453 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HSP90AA1 P07900 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL28724713 0.91 PIK3CD (0.42) PIK3CDCTSDCTSLCTSBCTSS
SCHEMBL28724695 0.87 CTSD (0.33) CTSDCTSLCTSBCTSSUSP2
SCHEMBL28724716 0.78 TRPV1 (0.33) PIK3CDHDAC1NPC1RAB9ALMNA
SCHEMBL12226512 0.77 PIK3CD (0.41) PIK3CDHDAC1NPC1RAB9ALMNA
SCHEMBL12226514 0.77 PIK3CD (0.41) PIK3CDHDAC1NPC1RAB9ALMNA
SCHEMBL28724725 0.77 HDAC1 (0.40) PIK3CDHDAC1NPC1RAB9ALMNA
SCHEMBL28781536 0.76 HSD11B1 (0.40) PIK3CDCTSDCTSLCTSBCTSS
SCHEMBL28781534 0.76 HSD11B1 (0.40) PIK3CDCTSDCTSLCTSBCTSS
SCHEMBL13744654 0.76 TDP1 (0.33) S1PR1SIGMAR1
SCHEMBL22551842 0.76 EPHX1 (0.42) GAAMEN1KMT2A

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-114349748-A Indazole derivative, preparation method and medical application thereof 四川海思科制药有限公司 2022-04-15 CN disclosed