SCHEMBL11113886

SCHEMBL11113886

C[C@@H](O)[C@H](N)C(=O)N[C@H]([C]=O)CCCCN

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 3/20 0.37
▸ DPP9 Q86TI2 3/20 0.37
▸ DPP7 Q9UHL4 3/20 0.37
▸ CTSC P53634 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ GSR P00390 1/20 0.36
▸ DPP4 P27487 2/20 0.33
▸ PLG P00747 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ SPHK1 Q9NYA1 4/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ RNPEP Q9H4A4 1/20 0.32
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TRPA1 O75762 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
SCHEMBL11113882 1.00 DPP8 (0.37) DPP8DPP9DPP7CTSCGNAI3
SCHEMBL9115885 0.86 DPP7 (0.41) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL9115877 0.86 DPP7 (0.41) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL4982617 0.83 CTSC (0.39) DPP8DPP9DPP7CTSCDPP4
SCHEMBL7751947 0.81 DPP7 (0.50) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL16664801 0.81 DPP8 (0.40) DPP8DPP9DPP7CTSCGNAI3
SCHEMBL7751944 0.81 DPP7 (0.50) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL10727454 0.81 PLG (0.38) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL10728100 0.81 DPP8 (0.42) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL2182854 0.80 DPP4 (0.42) DPP8DPP9DPP7CTSCDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 — — US claimed
WO-2016126343-A1 OLEANOYL PEPTIDE COMPOSITION AND COLLAGEN ENHANCEMENT MAJEED MUHAMMED (US) 2016-08-11 — — WO disclosed
EP-0099286-A1 Compound containing a tripeptide sequence of the threonyl-lysyl proline-type, or similar, useful as an anti-inflammatory, anti-allergic or antalgesic agent INSTITUT PASTEUR DE LILLE (FR) 1984-01-25 — — EP disclosed
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