SCHEMBL29929448

SCHEMBL29929448

CC1=CCCN(C(=O)OC(C)(C)C)C1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 5/20 0.34
TSHR P16473 5/20 0.34
MEN1 O00255 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL29593519 0.85 ALDH1A1 (0.37) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL15319968 0.81 KMT2A (0.38) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL15319966 0.81 KMT2A (0.38) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL29929712 0.81 MEN1 (0.43) ALDH1A1KMT2AMEN1NPSR1ATM
SCHEMBL15320104 0.80 ALDH1A1 (0.34) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL15320106 0.80 ALDH1A1 (0.34) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL20006817 0.79 GPR119 (0.39) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL19078516 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL16466438 0.78 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL25230409 0.77 ALDH1A1 (0.42) ALDH1A1KMT2ATSHRMEN1L3MBTL1

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-111196808-B Diazabicyclo compounds and their use 南京圣和药业股份有限公司 2022-10-18 CN disclosed