SCHEMBL11049674

SCHEMBL11049674

C[C@H](N)C(=O)NC(C(=O)O)C1CC(=O)NC1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.33
DPP4 P27487 1/20 0.33
MEN1 O00255 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
TSHR P16473 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
Bromide SCHEMBL11047216 0.99 CTRB1 (0.33) CTRB1DPP4MEN1APEX1KMT2A
SCHEMBL11048470 0.76 DPP4 (0.33) CTRB1DPP4
SCHEMBL11053995 0.76 DPP4 (0.33) CTRB1DPP4
SCHEMBL11046047 0.73 MEN1 (0.39) MEN1APEX1KMT2ATDP1L3MBTL1
SCHEMBL22394492 0.70 MAP3K14 (0.41) MEN1APEX1KMT2ATDP1L3MBTL1
SCHEMBL13116555 0.69 ENO1 (0.33) CTRB1DPP4
Hydrochloric Acid SCHEMBL3842489 0.68 DPP4 (0.41) CTRB1DPP4
SCHEMBL1536268 0.67 MAP3K14 (0.41) MEN1APEX1KMT2ATDP1L3MBTL1
SCHEMBL2956440 0.66 MAP3K14 (0.44) MEN1APEX1KMT2ATDP1L3MBTL1
SCHEMBL25905222 0.66 MAP3K14 (0.44) MEN1APEX1KMT2ATDP1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4465844-A PEPTIDE, GERMICIDE, DISINFECTANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-08-14 US disclosed
US-4436918-A FROM A 2,5-DIOXOPYRROLIDINE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-03-13 US disclosed