SCHEMBL30198613

SCHEMBL30198613

CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
BACE1 P56817 8/20 0.48
CTSD P07339 2/20 0.48
PTGS1 P23219 1/20 0.47
GSTK1 Q9Y2Q3 1/20 0.47
FOLH1 Q04609 1/20 0.43
ENPEP Q07075 5/20 0.43
ACE P12821 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
MME P08473 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GSR P00390 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL31064920 0.96 BACE1 (0.48) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30433877 0.93 PTGS1 (0.43) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29897967 0.93 PTGS1 (0.43) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30997439 0.90 DPP4 (0.54) DPP4DPP8DPP9BACE1CTSD
SCHEMBL18797432 0.90 DPP4 (0.54) DPP4DPP8DPP9BACE1CTSD
SCHEMBL6386178 0.90 DPP4 (0.54) DPP4DPP8DPP9BACE1CTSD
SCHEMBL31181278 0.89 BACE1 (0.53) DPP4DPP8DPP9BACE1CTSD
SCHEMBL537129 0.89 DPP4 (0.61) DPP4DPP8DPP9BACE1CTSD
SCHEMBL537127 0.89 DPP4 (0.61) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29531533 0.89 DPP4 (0.61) DPP4DPP8DPP9BACE1CTSD

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
CN-116942643-A Anti-inflammatory composition, preparation and application thereof 北京宝婷医药科技有限公司 2023-10-27 CN disclosed
US-11566256-B2 Polynucleotides and polypeptides in plants MENDEL BIOTECHNOLOGY, INC. (US) 2023-01-31 US disclosed