SCHEMBL8187477

SCHEMBL8187477

NC(=O)[C@@H](N)Cc1ccc(O)cc1.O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.59
ITGA2B P08514 7/20 0.59
ECE1 P42892 2/20 0.57
MME P08473 1/20 0.57
CTSL P07711 3/20 0.56
CTSB P07858 2/20 0.55
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
TACR1 P25103 2/20 0.53
TYR P14679 1/20 0.52

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
Phenylalanine Amide SCHEMBL8187861 0.95 ITGB3 (0.60) ITGB3ITGA2BECE1MMECTSL
Phenylalanine SCHEMBL9543648 0.94 ITGB3 (0.53) ITGB3ITGA2BECE1MMECTSL
SCHEMBL221300 0.90 ECE1 (0.65) ITGB3ITGA2BECE1MMECTSL
SCHEMBL6118298 0.90 ECE1 (0.65) ITGB3ITGA2BECE1MMECTSL
SCHEMBL10507966 0.90 ECE1 (0.65) ITGB3ITGA2BECE1MMECTSL
SCHEMBL1702159 0.90 ECE1 (0.65) ITGB3ITGA2BECE1MMECTSL
Water SCHEMBL8165165 0.89 CTSL (0.66) ITGB3ITGA2BECE1MMECTSL
Water SCHEMBL8394834 0.89 CTSL (0.66) ITGB3ITGA2BECE1MMECTSL
Hydrochloric Acid SCHEMBL11635370 0.89 ECE1 (0.64) ITGB3ITGA2BECE1MMECTSL
D-Phenylalanine SCHEMBL9445679 0.88 ITGB3 (0.63) ITGB3ITGA2BECE1MMECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025333-A Treatment of CNS tumors with metalloprotease inhibitors ERZIEHUNGSDIREKTION OF THE CANTON ZURICH (CH) 2000-02-15 US claimed
EP-0396719-B1 NEURITE GROWTH REGULATORY FACTORS ZUERICH ERZIEHUNGSDIREKTION (CH) 1995-07-05 EP claimed
EP-0495204-B1 Process for the preparation of (6S)- and (6R)-tetrahydrofolic acid EPROVA AG (CH) 1995-06-14 EP claimed
EP-0495204-A1 Process for the preparation of (6S)- and (6R)-tetrahydrofolic acid EPROVA Aktiengesellschaft (CH) 1992-07-22 EP claimed
EP-0396719-A1 NEURITE GROWTH REGULATORY FACTORS. 3 G CORP (CH) 1990-11-14 EP claimed
WO-1990005191-A1 NEURITE GROWTH REGULATORY FACTORS ERZIEHUNGSDIREKTION OF THE CANTON ZURICH (CH) 1990-05-17 WO claimed