SCHEMBL29530690

SCHEMBL29530690

CC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
BIRC2 Q13490 1/20 0.32
FAAH O00519 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HDAC2 Q92769 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 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
SCHEMBL29531259 0.87 GNPAT (0.41) ALDH1A1FAAH
SCHEMBL24302139 0.83 KMT2A (0.33) TLR2SELLSELPMEN1ALDH1A1
SCHEMBL30948758 0.83 L3MBTL1 (0.47) MEN1ALDH1A1HPGDKMT2AFAAH
SCHEMBL26940594 0.81 TSHR (0.34) ALDH1A1BIRC2FAAHL3MBTL1
SCHEMBL26941258 0.81 TSHR (0.34) ALDH1A1BIRC2FAAHL3MBTL1
SCHEMBL30682203 0.80 CYP2C9 (0.35) ALDH1A1BIRC2FAAHL3MBTL1HDAC2
SCHEMBL26941217 0.80 IL1RN (0.32) ALDH1A1BIRC2FAAHHDAC2
SCHEMBL30948663 0.79 ALDH1A1 (0.32) ALDH1A1FAAHL3MBTL1
SCHEMBL30948678 0.78 CTSK (0.31) FAAHL3MBTL1
SCHEMBL30919295 0.78 KMT2A (0.32) KMT2AL3MBTL1

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-2022078462-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 WO disclosed