SCHEMBL7614754

SCHEMBL7614754

C[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.52
▸ GLO1 Q04760 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ FOLH1 Q04609 4/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ TERT O14746 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ CA2 P00918 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ BMP1 P13497 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ RIMKLA Q8IXN7 1/20 0.38

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
SCHEMBL7614745 1.00 NOD1 (0.52) NOD1GLO1KMT2APTGS1GSTK1
SCHEMBL10646360 0.92 NOD1 (0.49) NOD1GLO1KMT2APTGS1GSTK1
SCHEMBL10646369 0.92 NOD1 (0.49) NOD1GLO1KMT2APTGS1GSTK1
SCHEMBL30662550 0.90 FOLH1 (0.50) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL29516388 0.90 FOLH1 (0.50) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL30920966 0.90 NOD1 (0.52) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL30832635 0.90 NOD1 (0.49) NOD1GLO1KMT2APTGS1GSTK1
SCHEMBL31571919 0.89 NOD1 (0.44) NOD1GLO1KMT2APTGS1GSTK1
SCHEMBL30558179 0.87 KMT2A (0.49) NOD1GLO1KMT2APTGS1GSTK1
SCHEMBL30853510 0.86 NOD1 (0.45) NOD1GLO1KMT2APTGS1GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930362-A Slow-release small-molecule peptide carbon-based fertilizer and composite carbon-based fertilizer with same 北京锦绣新技术发展有限公司 2024-11-12 — — CN claimed
CN-118930362-A Slow-release small-molecule peptide carbon-based fertilizer and composite carbon-based fertilizer with same 北京锦绣新技术发展有限公司 2024-11-12 — — CN disclosed
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO disclosed
EP-1242044-A2 DEANOL OR DERIVATIVES FOR THE TREATMENT OF SKIN IMPAIRMENTS AND BALDNESS Ghisalberti, Carlo (BR) 2002-09-25 — — EP disclosed
WO-2001017486-A2 DEANOL OR DERIVATIVES FOR THE TREATMENT OF SKIN IMPAIREMENTS AND BALDNESS GHISALBERTI CARLO (BR) 2001-03-15 — — WO disclosed
Send feedback