SCHEMBL8445565

SCHEMBL8445565

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1.c1ccc2c(c1)C2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.59
MME P08473 2/20 0.59
ITGB3 P05106 11/20 0.58
ITGA2B P08514 11/20 0.58
CTSL P07711 2/20 0.57
CTSB P07858 2/20 0.57
CTSS P25774 2/20 0.57
CTSK P43235 2/20 0.57
TACR1 P25103 2/20 0.55
TYR P14679 1/20 0.54
TGM2 P21980 1/20 0.53
ITGAV P06756 1/20 0.53

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
SCHEMBL10507966 0.92 ECE1 (0.65) ECE1MMEITGB3ITGA2BCTSL
SCHEMBL6118298 0.92 ECE1 (0.65) ECE1MMEITGB3ITGA2BCTSL
SCHEMBL221300 0.92 ECE1 (0.65) ECE1MMEITGB3ITGA2BCTSL
SCHEMBL1702159 0.92 ECE1 (0.65) ECE1MMEITGB3ITGA2BCTSL
Hydrochloric Acid SCHEMBL11635370 0.91 ECE1 (0.64) ECE1MMEITGB3ITGA2BCTSL
Water SCHEMBL8165165 0.91 CTSL (0.66) ECE1MMEITGB3ITGA2BCTSL
Water SCHEMBL8394834 0.91 CTSL (0.66) ECE1MMEITGB3ITGA2BCTSL
SCHEMBL10727026 0.88 MME (0.67) ECE1MMEITGB3ITGA2BCTSL
SCHEMBL20678118 0.88 MME (0.67) ECE1MMEITGB3ITGA2BCTSL
SCHEMBL29400351 0.88 MME (0.67) ECE1MMEITGB3ITGA2BCTSL

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
EP-0665229-B1 Process for the production of nucleic acid base derivatives AJINOMOTO KK (JP) 1999-11-17 EP disclosed
EP-0665229-A1 Process for the production of nucleic acid base derivatives Ajinomoto Co., Inc. (JP) 1995-08-02 EP disclosed