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Proline

Proline

SCHEMBL9512840

CC[C@H](C)[C@H](N)C(=O)OC(=O)C[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N.NCC(=O)O.NCC(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1.N[C@@H](CO)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Proline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 4/20 0.31
▸ NPY1R P25929 3/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM1B Q8NB78 1/20 0.31
▸ REN P00797 1/20 0.31
▸ NPY2R P49146 2/20 0.30
▸ NPY5R Q15761 2/20 0.30
▸ KEAP1 Q14145 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
Proline SCHEMBL3087442 0.96 MAPK8 (0.33) MAPK8MAPK9MAPK10KDM1AMAOB
Serine SCHEMBL8169168 0.92 NPY4R (0.32) NPY4RNPY1RMAPK8MAPK9MAPK10
Serine SCHEMBL9509964 0.85 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5R
Aspartic Acid SCHEMBL9511966 0.85 MAPK8 (0.33) NPY4RNPY1RMAPK8MAPK9MAPK10
Serine SCHEMBL675717 0.82 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R
Valine SCHEMBL18684829 0.80 TUBB4A (0.32) NPY4RNPY1R
Arginine SCHEMBL10725933 0.80 REN (0.34) NPY4RNPY1RMAPK8MAPK9MAPK10
Serine SCHEMBL15752146 0.79 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5R
Valine SCHEMBL16989787 0.79 TUBB4A (0.31) —
Phenylalanine SCHEMBL1585346 0.79 TUBB4A (0.33) MAPK8MAPK9MAPK10KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278781-B1 Peptides with laminin activity US COMMERCE (US) 1993-11-03 — — EP claimed
US-5092885-A Antitumor agents, wouond healing agents, promoters of cell adhesion to prostheses THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-03 — — US claimed
WO-1988006039-A1 PEPTIDES WITH LAMININ ACTIVITY UNITED STATES OF AMERICA, REPRESENTED BY THE UNITE (US) 1988-08-25 — — WO claimed
EP-0278781-A2 Peptides with laminin activity THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) 1988-08-17 — — EP claimed