SCHEMBL9448531

SCHEMBL9448531

NCC(=O)OC(=O)[C@H](CSC(=O)c1ccccc1)NC(=O)[C@@H](N)CCC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ ANPEP P15144 2/20 0.33
▸ MME P08473 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.32
▸ FCER2 P06734 1/20 0.32
▸ LTA4H P09960 3/20 0.31
▸ EED O75530 1/20 0.31
▸ TLR2 O60603 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31

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
SCHEMBL9448511 0.82 DPP4 (0.42) DPP4DPP8DPP9KMT2AALOX15
SCHEMBL9448488 0.80 PTGS1 (0.40) DPP4DPP8DPP9KMT2AGPR139
SCHEMBL9448472 0.73 PTGS1 (0.41) DPP4DPP8DPP9GPR139LTA4H
SCHEMBL10943024 0.70 KMT2A (0.47) KMT2AMMEECE1GPR139MMP2
SCHEMBL23154641 0.69 GPR139 (0.45) KMT2AGPR139
SCHEMBL28769012 0.69 GPR139 (0.45) KMT2AGPR139
SCHEMBL28767091 0.69 GPR139 (0.39) KMT2AGPR139LTA4H
SCHEMBL28769015 0.69 GPR139 (0.38) KMT2AECE1GPR139
SCHEMBL29744501 0.69 CTSC (0.50) MMELTA4H
Hydrochloric Acid SCHEMBL28767111 0.69 GPR139 (0.44) KMT2AGPR139

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
EP-0536231-A1 A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES, COMPOUNDS OBTAINED FROM SAID PROCESS AND AN INTERMEDIATE USEFUL FOR THE PREPARATION THEREOF. BOEHRINGER MANNHEIM ITALIA (IT) 1993-04-14 — — EP disclosed
Send feedback